3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H19ClN6O — CID 5253569

IUPAC3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2nn3cccnc3c2Cl)c1C
InChIInChI=1S/C16H19ClN6O/c1-5-22-11(3)12(10(2)19-22)9-21(4)16(24)14-13(17)15-18-7-6-8-23(15)20-14/h6-8H,5,9H2,1-4H3
InChIKeyPKNPRHCVSQKUTI-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.49
Rot. Bonds4

About 3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 5253569) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID5253569
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2nn3cccnc3c2Cl)c1C
InChIInChI=1S/C16H19ClN6O/c1-5-22-11(3)12(10(2)19-22)9-21(4)16(24)14-13(17)15-18-7-6-8-23(15)20-14/h6-8H,5,9H2,1-4H3
InChIKeyPKNPRHCVSQKUTI-UHFFFAOYSA-N
XLogP2.49
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2243054
2-(1-Azepanylcarbonyl)-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine
CID 567052
6-(2-Chloroethyl)-2-[(2,6-dimethyl-1-piperidinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 4986508
4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415037
3-chloro-N-(4-cyano-2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256253
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
3-Chloro-2-[(2-ethyl-1-piperidinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2982117
4,5-dimethyl-N-(2-methylpyrazolo [1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide
CID 76683721
1-[7-(Propan-2-YL)pyrazolo[1,5-A]pyrimidine-5-carbonyl]pyrrolidine
CID 53015025
(1,3-dimethyl-1H-pyrazol-5-yl)(2-methyl-8,9-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)methanone
CID 90628380
1,3,5-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-4-carboxamide
CID 91629147
2-[(4-methylpiperazin-1-yl)carbonyl]-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 50975910

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 5253569) is 3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1nc(C)c(CN(C)C(=O)c2nn3cccnc3c2Cl)c1C.
What is the InChIKey of 3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PKNPRHCVSQKUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-5-22-11(3)12(10(2)19-22)9-21(4)16(24)14-13(17)15-18-7-6-8-23(15)20-14/h6-8H,5,9H2,1-4H3.
What are the key properties of 3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 5253569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).