5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide

C14H18N4O — CID 110852012

IUPAC5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2cccnc2)n[nH]1
InChIInChI=1S/C14H18N4O/c1-14(2,3)12-7-11(17-18-12)13(19)16-9-10-5-4-6-15-8-10/h4-8H,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFCADYBIVKKSBRF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.03
Rot. Bonds3

About 5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide

5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 110852012) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID110852012
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2cccnc2)n[nH]1
InChIInChI=1S/C14H18N4O/c1-14(2,3)12-7-11(17-18-12)13(19)16-9-10-5-4-6-15-8-10/h4-8H,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFCADYBIVKKSBRF-UHFFFAOYSA-N
XLogP2.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 78880740
5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 71981631
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42194211
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 110852012) is 5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is CC(C)(C)c1cc(C(=O)NCc2cccnc2)n[nH]1.
What is the InChIKey of 5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is FCADYBIVKKSBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)12-7-11(17-18-12)13(19)16-9-10-5-4-6-15-8-10/h4-8H,9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110852012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).