4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide

C12H19ClN4O2 — CID 126429719

IUPAC4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC[C@@H](O)CN2CCCC2)c1Cl
InChIInChI=1S/C12H19ClN4O2/c1-8-10(13)11(16-15-8)12(19)14-6-9(18)7-17-4-2-3-5-17/h9,18H,2-7H2,1H3,(H,14,19)(H,15,16)/t9-/m1/s1
InChIKeyGPGIYVFPVIBSPE-SECBINFHSA-N
MW286.76 g/mol
LogP0.56
Rot. Bonds5

About 4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide

4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 126429719) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID126429719
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC[C@@H](O)CN2CCCC2)c1Cl
InChIInChI=1S/C12H19ClN4O2/c1-8-10(13)11(16-15-8)12(19)14-6-9(18)7-17-4-2-3-5-17/h9,18H,2-7H2,1H3,(H,14,19)(H,15,16)/t9-/m1/s1
InChIKeyGPGIYVFPVIBSPE-SECBINFHSA-N
XLogP0.56
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111422528
N-[(2S)-3-(azepan-1-yl)-2-hydroxypropyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 99935183
4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 125155609
4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 125438270
2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide
CID 91556839
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide
CID 54576159
1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923508
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride
CID 54579231
5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide
CID 141363452
4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide
CID 126449800
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860
3,5-dimethyl-N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 54903954

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 126429719) is 4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC[C@@H](O)CN2CCCC2)c1Cl.
What is the InChIKey of 4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is GPGIYVFPVIBSPE-SECBINFHSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-8-10(13)11(16-15-8)12(19)14-6-9(18)7-17-4-2-3-5-17/h9,18H,2-7H2,1H3,(H,14,19)(H,15,16)/t9-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126429719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).