7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H21N9O2 — CID 19468297

IUPAC7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(-c2ccnc3cc(C(=O)Nc4cccc(NC(=O)c5ccn(C)n5)c4)nn23)cnn1C
InChIInChI=1S/C23H21N9O2/c1-14-17(13-25-31(14)3)20-7-9-24-21-12-19(29-32(20)21)23(34)27-16-6-4-5-15(11-16)26-22(33)18-8-10-30(2)28-18/h4-13H,1-3H3,(H,26,33)(H,27,34)
InChIKeyYSWDIULMLFJNBM-UHFFFAOYSA-N
MW455.48 g/mol
LogP2.68
Rot. Bonds5

About 7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19468297) has the molecular formula C23H21N9O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19468297
Molecular FormulaC23H21N9O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(-c2ccnc3cc(C(=O)Nc4cccc(NC(=O)c5ccn(C)n5)c4)nn23)cnn1C
InChIInChI=1S/C23H21N9O2/c1-14-17(13-25-31(14)3)20-7-9-24-21-12-19(29-32(20)21)23(34)27-16-6-4-5-15(11-16)26-22(33)18-8-10-30(2)28-18/h4-13H,1-3H3,(H,26,33)(H,27,34)
InChIKeyYSWDIULMLFJNBM-UHFFFAOYSA-N
XLogP2.68
TPSA124.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466638
7-(1,5-dimethylpyrazol-4-yl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468304
N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466570
7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466631
7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466483
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
CID 19475191
N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468343
dimethyl 5-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19468661
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
7-(1,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468313
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466657
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19468297) is 7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1c(-c2ccnc3cc(C(=O)Nc4cccc(NC(=O)c5ccn(C)n5)c4)nn23)cnn1C.
What is the InChIKey of 7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YSWDIULMLFJNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O2/c1-14-17(13-25-31(14)3)20-7-9-24-21-12-19(29-32(20)21)23(34)27-16-6-4-5-15(11-16)26-22(33)18-8-10-30(2)28-18/h4-13H,1-3H3,(H,26,33)(H,27,34).
What are the key properties of 7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19468297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).