4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide

C15H22ClN3O2 — CID 126436261

IUPAC4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)c1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10-13(16)14(18-17-10)15(20)19(8-11-4-2-5-11)9-12-6-3-7-21-12/h11-12H,2-9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyBCHWUELWYLUSQG-GFCCVEGCSA-N
MW311.81 g/mol
LogP2.79
Rot. Bonds5

About 4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide

4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 126436261) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID126436261
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)c1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10-13(16)14(18-17-10)15(20)19(8-11-4-2-5-11)9-12-6-3-7-21-12/h11-12H,2-9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyBCHWUELWYLUSQG-GFCCVEGCSA-N
XLogP2.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 42457711
N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97147899
N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 118792637
N-(cyclobutylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125168586
4-bromo-N-[(3-fluorophenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 49393069
N-(cyclobutylmethyl)-4-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137334645
N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425817
1-(cyclobutylmethyl)-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-1-(oxolan-2-ylmethyl)urea
CID 72841785
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 97268592
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 97456837
2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126449240
2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 118790457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide (CID 126436261) is 4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)c1Cl.
What is the InChIKey of 4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BCHWUELWYLUSQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10-13(16)14(18-17-10)15(20)19(8-11-4-2-5-11)9-12-6-3-7-21-12/h11-12H,2-9H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclobutylmethyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126436261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).