(3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide

C16H25N7O — CID 129337157

IUPAC(3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cc(C)n(C)n2)C[C@@H]1c1nccn1C
InChIInChI=1S/C16H25N7O/c1-5-22-8-9-23(11-13(22)15-17-6-7-20(15)3)16(24)18-14-10-12(2)21(4)19-14/h6-7,10,13H,5,8-9,11H2,1-4H3,(H,18,19,24)/t13-/m1/s1
InChIKeyRTQXMPITZKGQGP-CYBMUJFWSA-N
MW331.42 g/mol
LogP1.37
Rot. Bonds3

About (3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide

(3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 129337157) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is (3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
PubChem CID129337157
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name(3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cc(C)n(C)n2)C[C@@H]1c1nccn1C
InChIInChI=1S/C16H25N7O/c1-5-22-8-9-23(11-13(22)15-17-6-7-20(15)3)16(24)18-14-10-12(2)21(4)19-14/h6-7,10,13H,5,8-9,11H2,1-4H3,(H,18,19,24)/t13-/m1/s1
InChIKeyRTQXMPITZKGQGP-CYBMUJFWSA-N
XLogP1.37
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of (3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide (CID 129337157) is (3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide is CCN1CCN(C(=O)Nc2cc(C)n(C)n2)C[C@@H]1c1nccn1C.
What is the InChIKey of (3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is RTQXMPITZKGQGP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N7O/c1-5-22-8-9-23(11-13(22)15-17-6-7-20(15)3)16(24)18-14-10-12(2)21(4)19-14/h6-7,10,13H,5,8-9,11H2,1-4H3,(H,18,19,24)/t13-/m1/s1.
What are the key properties of (3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
(3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 129337157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).