(3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide

C17H28N4OS — CID 124573040

IUPAC(3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide
SMILESCS[C@@H]1CCCCN(C(=O)NCc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C17H28N4OS/c1-23-16-8-4-5-10-20(13-16)17(22)18-12-14-9-11-21(19-14)15-6-2-3-7-15/h9,11,15-16H,2-8,10,12-13H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyZFRLUFNNJFNAGU-MRXNPFEDSA-N
MW336.51 g/mol
LogP3.43
Rot. Bonds4

About (3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide

(3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide (PubChem CID 124573040) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is (3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide
PubChem CID124573040
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name(3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide
SMILESCS[C@@H]1CCCCN(C(=O)NCc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C17H28N4OS/c1-23-16-8-4-5-10-20(13-16)17(22)18-12-14-9-11-21(19-14)15-6-2-3-7-15/h9,11,15-16H,2-8,10,12-13H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyZFRLUFNNJFNAGU-MRXNPFEDSA-N
XLogP3.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
CID 126788834
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705188
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane
CID 171523553
4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122007131
(3S)-N-(2-anilino-2-oxoethyl)-3-methylsulfanylazepane-1-carboxamide
CID 129380897
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385
1-[4-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenyl]ethanone
CID 64776982
(1R,2R,3S,4R)-3-[(1-cyclopentylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124777918
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide?
The IUPAC name of (3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide (CID 124573040) is (3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide?
The canonical SMILES for (3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide is CS[C@@H]1CCCCN(C(=O)NCc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of (3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide?
The InChIKey is ZFRLUFNNJFNAGU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-23-16-8-4-5-10-20(13-16)17(22)18-12-14-9-11-21(19-14)15-6-2-3-7-15/h9,11,15-16H,2-8,10,12-13H2,1H3,(H,18,22)/t16-/m1/s1.
What are the key properties of (3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide?
(3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide has a molecular weight of 336.51 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide is sourced from PubChem (CID 124573040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).