1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide

C14H18N6O — CID 95816974

IUPAC1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CC2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C14H18N6O/c15-14(21)12-7-18-20(10-12)9-11-1-5-19(6-2-11)13-8-16-3-4-17-13/h3-4,7-8,10-11H,1-2,5-6,9H2,(H2,15,21)
InChIKeyQNPWYZVFUJUGDT-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.69
Rot. Bonds4

About 1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide

1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 95816974) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID95816974
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CC2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C14H18N6O/c15-14(21)12-7-18-20(10-12)9-11-1-5-19(6-2-11)13-8-16-3-4-17-13/h3-4,7-8,10-11H,1-2,5-6,9H2,(H2,15,21)
InChIKeyQNPWYZVFUJUGDT-UHFFFAOYSA-N
XLogP0.69
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-pyrazin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 56965638
(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate
CID 58032790
2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879709
3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944789
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024012
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
N'-hydroxy-1-pyrazin-2-ylpiperidine-4-carboximidamide
CID 131632877

Frequently Asked Questions

What is the IUPAC name of 1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide (CID 95816974) is 1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide is NC(=O)c1cnn(CC2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of 1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is QNPWYZVFUJUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c15-14(21)12-7-18-20(10-12)9-11-1-5-19(6-2-11)13-8-16-3-4-17-13/h3-4,7-8,10-11H,1-2,5-6,9H2,(H2,15,21).
What are the key properties of 1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95816974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).