N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C12H16N4O — CID 110848527

IUPACN-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)n2nccc2n1
InChIInChI=1S/C12H16N4O/c1-4-8(2)14-12(17)10-7-9(3)16-11(15-10)5-6-13-16/h5-8H,4H2,1-3H3,(H,14,17)
InChIKeyWFXCRDRHWMBXAP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.57
Rot. Bonds3

About N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 110848527) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID110848527
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)n2nccc2n1
InChIInChI=1S/C12H16N4O/c1-4-8(2)14-12(17)10-7-9(3)16-11(15-10)5-6-13-16/h5-8H,4H2,1-3H3,(H,14,17)
InChIKeyWFXCRDRHWMBXAP-UHFFFAOYSA-N
XLogP1.57
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
5-(3-aminopropyl)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181592
N,5,7-trimethylpyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 19440818
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 842867
5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097803
5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440633
2-Tert-butyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 49830970
N-[(8-oxo-7,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 169423319
5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3113009
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 28099779

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 110848527) is N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CCC(C)NC(=O)c1cc(C)n2nccc2n1.
What is the InChIKey of N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is WFXCRDRHWMBXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-8(2)14-12(17)10-7-9(3)16-11(15-10)5-6-13-16/h5-8H,4H2,1-3H3,(H,14,17).
What are the key properties of N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 110848527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).