2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide

C9H13N3O — CID 161043600

IUPAC2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)n(CC2CC2)n1
InChIInChI=1S/C9H13N3O/c1-6-4-8(9(10)13)12(11-6)5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,10,13)
InChIKeyUBEZEWBHUHRKAS-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.70
Rot. Bonds3

About 2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide

2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide (PubChem CID 161043600) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
PubChem CID161043600
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)n(CC2CC2)n1
InChIInChI=1S/C9H13N3O/c1-6-4-8(9(10)13)12(11-6)5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,10,13)
InChIKeyUBEZEWBHUHRKAS-UHFFFAOYSA-N
XLogP0.70
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 124926405
2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide
CID 166431940
ethyl 3-tert-butyl-1-(cyclopropylmethyl)pyrazole-5-carboxylate
CID 59588876
N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66120497
2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 68886245
ethyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoacetate
CID 52906720
1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole
CID 102567821
1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351295
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 90494955
5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole
CID 123367533
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77113272
4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 126863928

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide (CID 161043600) is 2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(N)=O)n(CC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is UBEZEWBHUHRKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-8(9(10)13)12(11-6)5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,10,13).
What are the key properties of 2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide?
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 161043600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).