N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide

C21H28N4O3 — CID 1445243

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C21H28N4O3/c1-15(2)25-13-16(12-22-25)21(27)24(18-10-6-7-11-19(18)28-3)14-20(26)23-17-8-4-5-9-17/h6-7,10-13,15,17H,4-5,8-9,14H2,1-3H3,(H,23,26)
InChIKeyYNEOMCAKUYDEPM-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 1445243) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID1445243
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C21H28N4O3/c1-15(2)25-13-16(12-22-25)21(27)24(18-10-6-7-11-19(18)28-3)14-20(26)23-17-8-4-5-9-17/h6-7,10-13,15,17H,4-5,8-9,14H2,1-3H3,(H,23,26)
InChIKeyYNEOMCAKUYDEPM-UHFFFAOYSA-N
XLogP3.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 135566935
1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-4-carboxamide
CID 118557462
2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(4-methoxyphenyl)acetamide
CID 136087044
N-(2-Methoxy-phenyl)-2-(4-oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 655913
N-(4-methoxyphenyl)-1-[3-(1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24816914
(2Z)-N-(2-methoxyphenyl)-2-[(5Z)-3-methyl-4-oxo-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide
CID 25594393
(2S)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(4-methoxyphenyl)propanamide
CID 136087045
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 650559
1-[3-[4-(2-Methoxyphenyl)piperazino]piperidino]-2-pyrazol-1-yl-ethanone
CID 24817464
(E)-N-(2-aminophenyl)-3-[1-(2-phenoxyethyl)pyrazol-4-yl]prop-2-enamide
CID 60198485
1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide (CID 1445243) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide is COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is YNEOMCAKUYDEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)25-13-16(12-22-25)21(27)24(18-10-6-7-11-19(18)28-3)14-20(26)23-17-8-4-5-9-17/h6-7,10-13,15,17H,4-5,8-9,14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 1445243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).