1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

C20H23N5O — CID 56789484

IUPAC1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cn1
InChIInChI=1S/C20H23N5O/c1-20(2,3)25-15-18(12-23-25)19(26)24(13-16-6-9-21-10-7-16)14-17-5-4-8-22-11-17/h4-12,15H,13-14H2,1-3H3
InChIKeyRLWBTVJKDZVMJK-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.27
Rot. Bonds5

About 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 56789484) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID56789484
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cn1
InChIInChI=1S/C20H23N5O/c1-20(2,3)25-15-18(12-23-25)19(26)24(13-16-6-9-21-10-7-16)14-17-5-4-8-22-11-17/h4-12,15H,13-14H2,1-3H3
InChIKeyRLWBTVJKDZVMJK-UHFFFAOYSA-N
XLogP3.27
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl-(1-tert-butylpyrazole-4-carbonyl)amino]acetic acid
CID 75526363
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 126809690
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56789485
2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 78792656
N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 78792765
1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 78806465
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (CID 56789484) is 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cn1.
What is the InChIKey of 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is RLWBTVJKDZVMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-20(2,3)25-15-18(12-23-25)19(26)24(13-16-6-9-21-10-7-16)14-17-5-4-8-22-11-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 56789484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).