4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide

C16H19N5O2 — CID 47040881

IUPAC4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C16H19N5O2/c1-13(22)19-9-11-20(12-10-19)16(23)18-14-5-2-3-6-15(14)21-8-4-7-17-21/h2-8H,9-12H2,1H3,(H,18,23)
InChIKeyHNVKCAUDQUKWRU-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.57
Rot. Bonds2

About 4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide

4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 47040881) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
PubChem CID47040881
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C16H19N5O2/c1-13(22)19-9-11-20(12-10-19)16(23)18-14-5-2-3-6-15(14)21-8-4-7-17-21/h2-8H,9-12H2,1H3,(H,18,23)
InChIKeyHNVKCAUDQUKWRU-UHFFFAOYSA-N
XLogP1.57
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-cyanophenyl)methyl]-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
CID 51116517
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
3-(4-chlorophenyl)-N-(2-pyrazol-1-ylphenyl)azetidine-1-carboxamide
CID 166397759
ethyl (3S)-1-[(2-pyrazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 122145844
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
7-fluoro-N-(2-pyrazol-1-ylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 100698464
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040924
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122337919
1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040904
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide (CID 47040881) is 4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2ccccc2-n2cccn2)CC1.
What is the InChIKey of 4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is HNVKCAUDQUKWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-13(22)19-9-11-20(12-10-19)16(23)18-14-5-2-3-6-15(14)21-8-4-7-17-21/h2-8H,9-12H2,1H3,(H,18,23).
What are the key properties of 4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide?
4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 47040881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).