1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide

C17H27N3O2 — CID 126793407

IUPAC1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCC(C)(C)O2)cnn1C1CCCC1
InChIInChI=1S/C17H27N3O2/c1-12-15(11-19-20(12)13-6-4-5-7-13)16(21)18-10-14-8-9-17(2,3)22-14/h11,13-14H,4-10H2,1-3H3,(H,18,21)
InChIKeyVAVNAAWFULLLSK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.99
Rot. Bonds4

About 1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide

1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 126793407) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide
PubChem CID126793407
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCC(C)(C)O2)cnn1C1CCCC1
InChIInChI=1S/C17H27N3O2/c1-12-15(11-19-20(12)13-6-4-5-7-13)16(21)18-10-14-8-9-17(2,3)22-14/h11,13-14H,4-10H2,1-3H3,(H,18,21)
InChIKeyVAVNAAWFULLLSK-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 94237851
1-cyclopentyl-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methylpyrazole-4-carboxamide
CID 99819560
1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
CID 126786160
N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide
CID 164637668
N-(cyclobutylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxamide
CID 97311808
1-cyclopentyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methylpyrazole-4-carboxamide
CID 99606970
1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide
CID 166199642
N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 136567701
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide
CID 139001207
1-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-N-[[(3R)-oxan-3-yl]methyl]pyrazole-4-carboxamide
CID 97313449
5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527209

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide (CID 126793407) is 1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCC2CCC(C)(C)O2)cnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is VAVNAAWFULLLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-15(11-19-20(12)13-6-4-5-7-13)16(21)18-10-14-8-9-17(2,3)22-14/h11,13-14H,4-10H2,1-3H3,(H,18,21).
What are the key properties of 1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 126793407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).