(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C13H22N4O2 — CID 126445479

IUPAC(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)N1CC[C@@H](CO)C1
InChIInChI=1S/C13H22N4O2/c1-9-12(10(2)16-15-9)3-5-14-13(19)17-6-4-11(7-17)8-18/h11,18H,3-8H2,1-2H3,(H,14,19)(H,15,16)/t11-/m1/s1
InChIKeyNWLKRLSOOPSROD-LLVKDONJSA-N
MW266.34 g/mol
LogP0.59
Rot. Bonds4

About (3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 126445479) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID126445479
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)N1CC[C@@H](CO)C1
InChIInChI=1S/C13H22N4O2/c1-9-12(10(2)16-15-9)3-5-14-13(19)17-6-4-11(7-17)8-18/h11,18H,3-8H2,1-2H3,(H,14,19)(H,15,16)/t11-/m1/s1
InChIKeyNWLKRLSOOPSROD-LLVKDONJSA-N
XLogP0.59
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide
CID 119069467
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]propanamide
CID 97435127
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide
CID 84589773
3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 109399149
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110717151
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632
(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 95604431
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 110717086
(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
CID 126441433
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 112529992

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 126445479) is (3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)N1CC[C@@H](CO)C1.
What is the InChIKey of (3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is NWLKRLSOOPSROD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-12(10(2)16-15-9)3-5-14-13(19)17-6-4-11(7-17)8-18/h11,18H,3-8H2,1-2H3,(H,14,19)(H,15,16)/t11-/m1/s1.
What are the key properties of (3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126445479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).