(3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

C15H23N7O — CID 129328331

IUPAC(3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCn2cccn2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C15H23N7O/c1-2-20-10-11-21(12-13(20)14-16-5-6-17-14)15(23)18-7-9-22-8-3-4-19-22/h3-6,8,13H,2,7,9-12H2,1H3,(H,16,17)(H,18,23)/t13-/m0/s1
InChIKeyBBKGVQXWQQJWIS-ZDUSSCGKSA-N
MW317.40 g/mol
LogP0.69
Rot. Bonds5

About (3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

(3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (PubChem CID 129328331) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is (3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
PubChem CID129328331
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name(3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCn2cccn2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C15H23N7O/c1-2-20-10-11-21(12-13(20)14-16-5-6-17-14)15(23)18-7-9-22-8-3-4-19-22/h3-6,8,13H,2,7,9-12H2,1H3,(H,16,17)(H,18,23)/t13-/m0/s1
InChIKeyBBKGVQXWQQJWIS-ZDUSSCGKSA-N
XLogP0.69
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(3R)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-imidazol-1-ylethyl)piperazine-1-carboxamide
CID 129328776
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 129006467
4-ethyl-3-(1H-imidazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 128995556
(3R)-4-ethyl-3-(1H-imidazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129338783
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
(2,3-difluorophenyl)-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129332514
3-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 129336485
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carboxamide
CID 127972367
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 128992146
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of (3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (CID 129328331) is (3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for (3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for (3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is CCN1CCN(C(=O)NCCn2cccn2)C[C@H]1c1ncc[nH]1.
What is the InChIKey of (3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is BBKGVQXWQQJWIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N7O/c1-2-20-10-11-21(12-13(20)14-16-5-6-17-14)15(23)18-7-9-22-8-3-4-19-22/h3-6,8,13H,2,7,9-12H2,1H3,(H,16,17)(H,18,23)/t13-/m0/s1.
What are the key properties of (3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
(3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 129328331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).