(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

C15H23N7O — CID 129335168

IUPAC(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cnn(C)c2)C[C@@H]1c1nccn1C
InChIInChI=1S/C15H23N7O/c1-4-21-7-8-22(11-13(21)14-16-5-6-19(14)2)15(23)18-12-9-17-20(3)10-12/h5-6,9-10,13H,4,7-8,11H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyOVKBQDXYCWFIME-CYBMUJFWSA-N
MW317.40 g/mol
LogP1.06
Rot. Bonds3

About (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 129335168) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID129335168
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cnn(C)c2)C[C@@H]1c1nccn1C
InChIInChI=1S/C15H23N7O/c1-4-21-7-8-22(11-13(21)14-16-5-6-19(14)2)15(23)18-12-9-17-20(3)10-12/h5-6,9-10,13H,4,7-8,11H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyOVKBQDXYCWFIME-CYBMUJFWSA-N
XLogP1.06
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 128994525
4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 128968436
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 127665760
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 129339331
4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129006019
4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 128995946
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone
CID 128997527
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 129331274
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129332688
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129341691
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129329650

Frequently Asked Questions

What is the IUPAC name of (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (CID 129335168) is (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is CCN1CCN(C(=O)Nc2cnn(C)c2)C[C@@H]1c1nccn1C.
What is the InChIKey of (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is OVKBQDXYCWFIME-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N7O/c1-4-21-7-8-22(11-13(21)14-16-5-6-19(14)2)15(23)18-12-9-17-20(3)10-12/h5-6,9-10,13H,4,7-8,11H2,1-3H3,(H,18,23)/t13-/m1/s1.
What are the key properties of (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 129335168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).