N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

C13H19N3O — CID 128891586

IUPACN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)n[nH]1
InChIInChI=1S/C13H19N3O/c1-8-5-12(16-15-8)13(17)14-7-10-6-11(10)9-3-2-4-9/h5,9-11H,2-4,6-7H2,1H3,(H,14,17)(H,15,16)/t10-,11-/m0/s1
InChIKeyKMYAJVVAOIPGKG-QWRGUYRKSA-N
MW233.31 g/mol
LogP1.88
Rot. Bonds4

About N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 128891586) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID128891586
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)n[nH]1
InChIInChI=1S/C13H19N3O/c1-8-5-12(16-15-8)13(17)14-7-10-6-11(10)9-3-2-4-9/h5,9-11H,2-4,6-7H2,1H3,(H,14,17)(H,15,16)/t10-,11-/m0/s1
InChIKeyKMYAJVVAOIPGKG-QWRGUYRKSA-N
XLogP1.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
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CID 111459726
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120671060
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 136538965
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126937456
N-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5411187
2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 81367172
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119456298
5-(difluoromethyl)-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 165425531

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 128891586) is N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)n[nH]1.
What is the InChIKey of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KMYAJVVAOIPGKG-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-5-12(16-15-8)13(17)14-7-10-6-11(10)9-3-2-4-9/h5,9-11H,2-4,6-7H2,1H3,(H,14,17)(H,15,16)/t10-,11-/m0/s1.
What are the key properties of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 128891586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).