(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide

C15H18N4O2 — CID 111521201

IUPAC(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)N1CC[C@H](O)C1
InChIInChI=1S/C15H18N4O2/c20-14-6-7-18(11-14)15(21)17-13-8-16-19(10-13)9-12-4-2-1-3-5-12/h1-5,8,10,14,20H,6-7,9,11H2,(H,17,21)/t14-/m0/s1
InChIKeyQJWUATWMIMUFEY-AWEZNQCLSA-N
MW286.33 g/mol
LogP1.53
Rot. Bonds3

About (3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide

(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 111521201) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID111521201
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)N1CC[C@H](O)C1
InChIInChI=1S/C15H18N4O2/c20-14-6-7-18(11-14)15(21)17-13-8-16-19(10-13)9-12-4-2-1-3-5-12/h1-5,8,10,14,20H,6-7,9,11H2,(H,17,21)/t14-/m0/s1
InChIKeyQJWUATWMIMUFEY-AWEZNQCLSA-N
XLogP1.53
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 124855487
(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
CID 95899241
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
3-[(2-chlorophenyl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 69070499
N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide
CID 138048170
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111566301
N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 71994452
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
3-[(1-benzylpyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 3439709

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide (CID 111521201) is (3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is QJWUATWMIMUFEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14-6-7-18(11-14)15(21)17-13-8-16-19(10-13)9-12-4-2-1-3-5-12/h1-5,8,10,14,20H,6-7,9,11H2,(H,17,21)/t14-/m0/s1.
What are the key properties of (3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide?
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 111521201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).