(2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

C21H22ClN5O — CID 97200310

IUPAC(2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCc1cn[nH]c1-c1ccc(Cl)cc1)[C@H](c1cccnc1)N1CCCC1
InChIInChI=1S/C21H22ClN5O/c22-18-7-5-15(6-8-18)19-17(14-25-26-19)13-24-21(28)20(27-10-1-2-11-27)16-4-3-9-23-12-16/h3-9,12,14,20H,1-2,10-11,13H2,(H,24,28)(H,25,26)/t20-/m0/s1
InChIKeyVPYHQQYTFIBWBY-FQEVSTJZSA-N
MW395.89 g/mol
LogP3.58
Rot. Bonds6

About (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

(2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 97200310) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
PubChem CID97200310
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name(2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCc1cn[nH]c1-c1ccc(Cl)cc1)[C@H](c1cccnc1)N1CCCC1
InChIInChI=1S/C21H22ClN5O/c22-18-7-5-15(6-8-18)19-17(14-25-26-19)13-24-21(28)20(27-10-1-2-11-27)16-4-3-9-23-12-16/h3-9,12,14,20H,1-2,10-11,13H2,(H,24,28)(H,25,26)/t20-/m0/s1
InChIKeyVPYHQQYTFIBWBY-FQEVSTJZSA-N
XLogP3.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 56739589
(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97198876
2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 86808090
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 177383040
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide
CID 91797066
(2S)-N-[(2,4-difluorophenyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97131048
4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
CID 72885948
(6R)-4-acetyl-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-6-hydroxy-1,4-diazepane-1-carboxamide
CID 126450778
N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74240297
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99953823
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74250862

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (CID 97200310) is (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is O=C(NCc1cn[nH]c1-c1ccc(Cl)cc1)[C@H](c1cccnc1)N1CCCC1.
What is the InChIKey of (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is VPYHQQYTFIBWBY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22ClN5O/c22-18-7-5-15(6-8-18)19-17(14-25-26-19)13-24-21(28)20(27-10-1-2-11-27)16-4-3-9-23-12-16/h3-9,12,14,20H,1-2,10-11,13H2,(H,24,28)(H,25,26)/t20-/m0/s1.
What are the key properties of (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
(2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 395.89 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 97200310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).