3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H19ClN6O2 — CID 77086511

IUPAC3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1nnc(CN(C(=O)c2nn3cc(C)cnc3c2Cl)C(C)C)o1
InChIInChI=1S/C16H19ClN6O2/c1-5-11-19-20-12(25-11)8-22(9(2)3)16(24)14-13(17)15-18-6-10(4)7-23(15)21-14/h6-7,9H,5,8H2,1-4H3
InChIKeyQGRYGUKOUQGURE-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.69
Rot. Bonds5

About 3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 77086511) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID77086511
Molecular FormulaC16H19ClN6O2
Molecular Weight362.82 g/mol
Exact Mass362.13
IUPAC Name3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1nnc(CN(C(=O)c2nn3cc(C)cnc3c2Cl)C(C)C)o1
InChIInChI=1S/C16H19ClN6O2/c1-5-11-19-20-12(25-11)8-22(9(2)3)16(24)14-13(17)15-18-6-10(4)7-23(15)21-14/h6-7,9H,5,8H2,1-4H3
InChIKeyQGRYGUKOUQGURE-UHFFFAOYSA-N
XLogP2.69
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5253569
2-[(3-Chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 50985566
(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95137677
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
CID 99928205
3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 99943078
3-chloro-N-ethyl-N-[trans-4-hydroxytetrahydrofuran-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118795094
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 125526078
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440940
3-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440941
3-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440943
3-Chloro-6-methyl-2-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrazolo[1,5-a]pyrimidine
CID 56865116
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95476978

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 77086511) is 3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1nnc(CN(C(=O)c2nn3cc(C)cnc3c2Cl)C(C)C)o1.
What is the InChIKey of 3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QGRYGUKOUQGURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O2/c1-5-11-19-20-12(25-11)8-22(9(2)3)16(24)14-13(17)15-18-6-10(4)7-23(15)21-14/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 77086511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).