(2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C16H19ClN4O2 — CID 100627057

IUPAC(2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccc(Cl)c1)N1CCC[C@@H]1CO
InChIInChI=1S/C16H19ClN4O2/c17-13-4-1-3-12(9-13)10-21-15(6-7-18-21)19-16(23)20-8-2-5-14(20)11-22/h1,3-4,6-7,9,14,22H,2,5,8,10-11H2,(H,19,23)/t14-/m1/s1
InChIKeyVEICFQHNPFIWSF-CQSZACIVSA-N
MW334.81 g/mol
LogP2.57
Rot. Bonds4

About (2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 100627057) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is (2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID100627057
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name(2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccc(Cl)c1)N1CCC[C@@H]1CO
InChIInChI=1S/C16H19ClN4O2/c17-13-4-1-3-12(9-13)10-21-15(6-7-18-21)19-16(23)20-8-2-5-14(20)11-22/h1,3-4,6-7,9,14,22H,2,5,8,10-11H2,(H,19,23)/t14-/m1/s1
InChIKeyVEICFQHNPFIWSF-CQSZACIVSA-N
XLogP2.57
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137864
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030258
2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride
CID 154903038
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 18127266
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide
CID 51090020
4-chloro-2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409900
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118769035
(2R)-N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97227060
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
N-[2-(3-chlorophenoxy)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427995

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 100627057) is (2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(Nc1ccnn1Cc1cccc(Cl)c1)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is VEICFQHNPFIWSF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-13-4-1-3-12(9-13)10-21-15(6-7-18-21)19-16(23)20-8-2-5-14(20)11-22/h1,3-4,6-7,9,14,22H,2,5,8,10-11H2,(H,19,23)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 100627057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).