N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide

C17H24N6O — CID 72938073

IUPACN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCc1c(C)nn(C)c1NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H24N6O/c1-4-15-13(2)20-21(3)16(15)19-17(24)23-11-9-22(10-12-23)14-5-7-18-8-6-14/h5-8H,4,9-12H2,1-3H3,(H,19,24)
InChIKeyMOEJSVMHDHGAIW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.04
Rot. Bonds3

About N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 72938073) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID72938073
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCc1c(C)nn(C)c1NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H24N6O/c1-4-15-13(2)20-21(3)16(15)19-17(24)23-11-9-22(10-12-23)14-5-7-18-8-6-14/h5-8H,4,9-12H2,1-3H3,(H,19,24)
InChIKeyMOEJSVMHDHGAIW-UHFFFAOYSA-N
XLogP2.04
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86916240
4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 60595616
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47750340
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575
N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122562374
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 72938073) is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide is CCc1c(C)nn(C)c1NC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is MOEJSVMHDHGAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-4-15-13(2)20-21(3)16(15)19-17(24)23-11-9-22(10-12-23)14-5-7-18-8-6-14/h5-8H,4,9-12H2,1-3H3,(H,19,24).
What are the key properties of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 72938073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).