3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

C13H22N4O2 — CID 75502918

IUPAC3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESCC(C)CCn1ccc(NC(=O)N2CCC(O)C2)n1
InChIInChI=1S/C13H22N4O2/c1-10(2)3-7-17-8-5-12(15-17)14-13(19)16-6-4-11(18)9-16/h5,8,10-11,18H,3-4,6-7,9H2,1-2H3,(H,14,15,19)
InChIKeyXKDNXQGGINKRFI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.53
Rot. Bonds4

About 3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 75502918) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID75502918
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESCC(C)CCn1ccc(NC(=O)N2CCC(O)C2)n1
InChIInChI=1S/C13H22N4O2/c1-10(2)3-7-17-8-5-12(15-17)14-13(19)16-6-4-11(18)9-16/h5,8,10-11,18H,3-4,6-7,9H2,1-2H3,(H,14,15,19)
InChIKeyXKDNXQGGINKRFI-UHFFFAOYSA-N
XLogP1.53
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-Methoxypropyl)pyrazol-3-yl]-3-propylurea
CID 72008027
2-(2-hydroxypropan-2-yl)-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75448419
N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 84590783
1-Ethyl-3-[1-(3-methoxypropyl)pyrazol-3-yl]-1-(2-methylprop-2-enyl)urea
CID 72008001
1-[1-(2-cyanoethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 91647871
1-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-1-methyl-3-[1-(3-methylbutyl)pyrazol-3-yl]urea
CID 97080822
(3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 97278532
1-Cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(1-methylpyrazol-3-yl)urea
CID 132298255
1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-(1-propan-2-ylpyrazol-3-yl)urea
CID 137994335
(3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide
CID 138001530
N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 71980697
1-(2-Hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 75521665

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 75502918) is 3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is CC(C)CCn1ccc(NC(=O)N2CCC(O)C2)n1.
What is the InChIKey of 3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is XKDNXQGGINKRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)3-7-17-8-5-12(15-17)14-13(19)16-6-4-11(18)9-16/h5,8,10-11,18H,3-4,6-7,9H2,1-2H3,(H,14,15,19).
What are the key properties of 3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75502918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).