N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide

C13H19N3O — CID 87024266

IUPACN-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C2CC2)C2CC2)n(C)n1
InChIInChI=1S/C13H19N3O/c1-8-7-11(16(2)15-8)13(17)14-12(9-3-4-9)10-5-6-10/h7,9-10,12H,3-6H2,1-2H3,(H,14,17)
InChIKeyANXPSKIOSQLSNL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.65
Rot. Bonds4

About N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide

N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 87024266) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID87024266
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C2CC2)C2CC2)n(C)n1
InChIInChI=1S/C13H19N3O/c1-8-7-11(16(2)15-8)13(17)14-12(9-3-4-9)10-5-6-10/h7,9-10,12H,3-6H2,1-2H3,(H,14,17)
InChIKeyANXPSKIOSQLSNL-UHFFFAOYSA-N
XLogP1.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 94819757
2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
CID 13405277
(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964855
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66126250
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484
cis-methyl (1R,2S)-2-[(R)-[(2,5-dimethylpyrazole-3-carbonyl)amino]-phenylmethyl]cyclopropane-1-carboxylate
CID 21014181
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide (CID 87024266) is N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(C2CC2)C2CC2)n(C)n1.
What is the InChIKey of N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ANXPSKIOSQLSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-7-11(16(2)15-8)13(17)14-12(9-3-4-9)10-5-6-10/h7,9-10,12H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 87024266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).