N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide

C15H19N3OS — CID 39612382

IUPACN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cn1
InChIInChI=1S/C15H19N3OS/c1-18-10-12(9-16-18)15(19)17-14(11-5-2-3-6-11)13-7-4-8-20-13/h4,7-11,14H,2-3,5-6H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyMFBOSAQONRTMAB-CQSZACIVSA-N
MW289.40 g/mol
LogP3.14
Rot. Bonds4

About N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 39612382) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID39612382
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cn1
InChIInChI=1S/C15H19N3OS/c1-18-10-12(9-16-18)15(19)17-14(11-5-2-3-6-11)13-7-4-8-20-13/h4,7-11,14H,2-3,5-6H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyMFBOSAQONRTMAB-CQSZACIVSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 94120629
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 39613359
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81228997
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide
CID 97311490
N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
CID 63524576
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
CID 81425114

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide (CID 39612382) is N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cn1.
What is the InChIKey of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MFBOSAQONRTMAB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18-10-12(9-16-18)15(19)17-14(11-5-2-3-6-11)13-7-4-8-20-13/h4,7-11,14H,2-3,5-6H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide?
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 39612382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).