7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19F2N9O2 — CID 19447129

IUPAC7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)c2n1
InChIInChI=1S/C19H19F2N9O2/c1-10-4-14(16(20)21)30-17(26-10)12(7-25-30)18(31)27-13-8-24-29(3)15(13)19(32)22-5-11-6-23-28(2)9-11/h4,6-9,16H,5H2,1-3H3,(H,22,32)(H,27,31)
InChIKeySPFUCYTWJTYFLR-UHFFFAOYSA-N
MW443.42 g/mol
LogP1.62
Rot. Bonds6

About 7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19447129) has the molecular formula C19H19F2N9O2 and a molecular weight of 443.42 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19447129
Molecular FormulaC19H19F2N9O2
Molecular Weight443.42 g/mol
Exact Mass443.16
IUPAC Name7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)c2n1
InChIInChI=1S/C19H19F2N9O2/c1-10-4-14(16(20)21)30-17(26-10)12(7-25-30)18(31)27-13-8-24-29(3)15(13)19(32)22-5-11-6-23-28(2)9-11/h4,6-9,16H,5H2,1-3H3,(H,22,32)(H,27,31)
InChIKeySPFUCYTWJTYFLR-UHFFFAOYSA-N
XLogP1.62
TPSA124.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19336951
N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19336929
4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336834
4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336742
7-(difluoromethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447131
4-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19475210
2-[4-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500749
[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441397
1-methyl-4-[(4-methyl-3-nitrobenzoyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336772
7-(difluoromethyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416192
4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336853
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336915

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19447129) is 7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)c2n1.
What is the InChIKey of 7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SPFUCYTWJTYFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N9O2/c1-10-4-14(16(20)21)30-17(26-10)12(7-25-30)18(31)27-13-8-24-29(3)15(13)19(32)22-5-11-6-23-28(2)9-11/h4,6-9,16H,5H2,1-3H3,(H,22,32)(H,27,31).
What are the key properties of 7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19447129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).