N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21BrF2N6O2 — CID 19452033

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(Br)c(CN(C)C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4OC)nc23)n1
InChIInChI=1S/C22H21BrF2N6O2/c1-4-30-11-15(23)17(28-30)12-29(2)22(32)14-10-26-31-18(20(24)25)9-16(27-21(14)31)13-7-5-6-8-19(13)33-3/h5-11,20H,4,12H2,1-3H3
InChIKeyPVTPFVVUKOQMOR-UHFFFAOYSA-N
MW519.35 g/mol
LogP4.59
Rot. Bonds7

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19452033) has the molecular formula C22H21BrF2N6O2 and a molecular weight of 519.35 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19452033
Molecular FormulaC22H21BrF2N6O2
Molecular Weight519.35 g/mol
Exact Mass518.09
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(Br)c(CN(C)C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4OC)nc23)n1
InChIInChI=1S/C22H21BrF2N6O2/c1-4-30-11-15(23)17(28-30)12-29(2)22(32)14-10-26-31-18(20(24)25)9-16(27-21(14)31)13-7-5-6-8-19(13)33-3/h5-11,20H,4,12H2,1-3H3
InChIKeyPVTPFVVUKOQMOR-UHFFFAOYSA-N
XLogP4.59
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441088
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19451851
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441110
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19329991
7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020407
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19284458
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458612
N-(1-adamantylmethyl)-7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4915731
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 19451982
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19336144
methyl 2-[[4-[[7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406883
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441308

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19452033) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(Br)c(CN(C)C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4OC)nc23)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PVTPFVVUKOQMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrF2N6O2/c1-4-30-11-15(23)17(28-30)12-29(2)22(32)14-10-26-31-18(20(24)25)9-16(27-21(14)31)13-7-5-6-8-19(13)33-3/h5-11,20H,4,12H2,1-3H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 519.35 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19452033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).