(3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide

C17H28N4O2 — CID 138001530

IUPAC(3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide
SMILESCC(C)O[C@@H]1CCN(C(=O)Nc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C17H28N4O2/c1-13(2)23-15-8-10-20(12-15)17(22)18-16-9-11-21(19-16)14-6-4-3-5-7-14/h9,11,13-15H,3-8,10,12H2,1-2H3,(H,18,19,22)/t15-/m1/s1
InChIKeyKKKNMNWWTLYCDT-OAHLLOKOSA-N
MW320.44 g/mol
LogP3.42
Rot. Bonds4

About (3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide

(3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide (PubChem CID 138001530) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide
PubChem CID138001530
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide
SMILESCC(C)O[C@@H]1CCN(C(=O)Nc2ccn(C3CCCCC3)n2)C1
InChIInChI=1S/C17H28N4O2/c1-13(2)23-15-8-10-20(12-15)17(22)18-16-9-11-21(19-16)14-6-4-3-5-7-14/h9,11,13-15H,3-8,10,12H2,1-2H3,(H,18,19,22)/t15-/m1/s1
InChIKeyKKKNMNWWTLYCDT-OAHLLOKOSA-N
XLogP3.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 84590783
1-(4,4-Dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 71992405
N-(1-cyclohexyl-1H-pyrazol-5-yl)-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72860414
3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75502918
2-(2,5-dimethylpyrrolidin-1-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 75503966
(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
CID 86800094
1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94201395
1-[(2R)-2-(dimethylamino)-3-ethylpentyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 95634964
3-[1-(2-methoxyethyl)pyrazol-3-yl]-1-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynylurea
CID 97063114
1-(1-Cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea
CID 100679728
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-(cyclopropylmethoxy)piperidine-1-carboxamide
CID 121550317
N-(1-cyclohexylpyrazol-3-yl)morpholine-4-carboxamide
CID 121588072

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide (CID 138001530) is (3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide is CC(C)O[C@@H]1CCN(C(=O)Nc2ccn(C3CCCCC3)n2)C1.
What is the InChIKey of (3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide?
The InChIKey is KKKNMNWWTLYCDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)23-15-8-10-20(12-15)17(22)18-16-9-11-21(19-16)14-6-4-3-5-7-14/h9,11,13-15H,3-8,10,12H2,1-2H3,(H,18,19,22)/t15-/m1/s1.
What are the key properties of (3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide?
(3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 138001530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).