(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide

C16H22N4OS — CID 95205075

IUPAC(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESC[C@@H](NCc1cn[nH]c1-c1cccs1)C(=O)NC1CCCC1
InChIInChI=1S/C16H22N4OS/c1-11(16(21)19-13-5-2-3-6-13)17-9-12-10-18-20-15(12)14-7-4-8-22-14/h4,7-8,10-11,13,17H,2-3,5-6,9H2,1H3,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyNTQPHMZBVJDULQ-LLVKDONJSA-N
MW318.45 g/mol
LogP2.68
Rot. Bonds6

About (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide

(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 95205075) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID95205075
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESC[C@@H](NCc1cn[nH]c1-c1cccs1)C(=O)NC1CCCC1
InChIInChI=1S/C16H22N4OS/c1-11(16(21)19-13-5-2-3-6-13)17-9-12-10-18-20-15(12)14-7-4-8-22-14/h4,7-8,10-11,13,17H,2-3,5-6,9H2,1H3,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyNTQPHMZBVJDULQ-LLVKDONJSA-N
XLogP2.68
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide with MolForge

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Related Compounds

N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 54950520
(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81384549
2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 54959684
N-cyclopentyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824156
1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233218
2-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233315
1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43791776
[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359673
N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813
N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115575837
3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 64733627
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide (CID 95205075) is (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide is C[C@@H](NCc1cn[nH]c1-c1cccs1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is NTQPHMZBVJDULQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11(16(21)19-13-5-2-3-6-13)17-9-12-10-18-20-15(12)14-7-4-8-22-14/h4,7-8,10-11,13,17H,2-3,5-6,9H2,1H3,(H,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 318.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 95205075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).