N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide

C14H18N6O — CID 86916240

IUPACN-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C14H18N6O/c1-18-7-4-13(17-18)16-14(21)20-10-8-19(9-11-20)12-2-5-15-6-3-12/h2-7H,8-11H2,1H3,(H,16,17,21)
InChIKeyHGFRFGPPIGFHOY-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.17
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86916240) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86916240
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C14H18N6O/c1-18-7-4-13(17-18)16-14(21)20-10-8-19(9-11-20)12-2-5-15-6-3-12/h2-7H,8-11H2,1H3,(H,16,17,21)
InChIKeyHGFRFGPPIGFHOY-UHFFFAOYSA-N
XLogP1.17
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
CID 60617047
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 72938073
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 167907588
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 60616938
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86916240) is N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide is Cn1ccc(NC(=O)N2CCN(c3ccncc3)CC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is HGFRFGPPIGFHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-18-7-4-13(17-18)16-14(21)20-10-8-19(9-11-20)12-2-5-15-6-3-12/h2-7H,8-11H2,1H3,(H,16,17,21).
What are the key properties of N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86916240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).