(2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C16H19ClN4O2 — CID 75464764

IUPAC(2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@@H]2CO)nn1-c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4O2/c1-11-8-15(18-16(23)20-7-3-6-14(20)10-22)19-21(11)13-5-2-4-12(17)9-13/h2,4-5,8-9,14,22H,3,6-7,10H2,1H3,(H,18,19,23)/t14-/m1/s1
InChIKeyUFPQZECKRPAUCX-CQSZACIVSA-N
MW334.81 g/mol
LogP2.82
Rot. Bonds3

About (2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 75464764) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is (2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID75464764
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name(2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@@H]2CO)nn1-c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4O2/c1-11-8-15(18-16(23)20-7-3-6-14(20)10-22)19-21(11)13-5-2-4-12(17)9-13/h2,4-5,8-9,14,22H,3,6-7,10H2,1H3,(H,18,19,23)/t14-/m1/s1
InChIKeyUFPQZECKRPAUCX-CQSZACIVSA-N
XLogP2.82
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 75464764) is (2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCC[C@@H]2CO)nn1-c1cccc(Cl)c1.
What is the InChIKey of (2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is UFPQZECKRPAUCX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-8-15(18-16(23)20-7-3-6-14(20)10-22)19-21(11)13-5-2-4-12(17)9-13/h2,4-5,8-9,14,22H,3,6-7,10H2,1H3,(H,18,19,23)/t14-/m1/s1.
What are the key properties of (2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75464764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).