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

C15H20N4O — CID 78880740

IUPAC5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C15H20N4O/c1-15(2,3)13-8-12(17-18-13)14(20)19(4)10-11-6-5-7-16-9-11/h5-9H,10H2,1-4H3,(H,17,18)
InChIKeyIMYDLWKGHLOSQP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.37
Rot. Bonds3

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

5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 78880740) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID78880740
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C15H20N4O/c1-15(2,3)13-8-12(17-18-13)14(20)19(4)10-11-6-5-7-16-9-11/h5-9H,10H2,1-4H3,(H,17,18)
InChIKeyIMYDLWKGHLOSQP-UHFFFAOYSA-N
XLogP2.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 47245198
5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 110852012
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
N-methyl-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62239472
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881499
4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62168228
N-(3-aminopropyl)-N-benzyl-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 120648409
5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881544
5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 79954703
N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 47112744
N,6-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 78893836

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 78880740) is 5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is CN(Cc1cccnc1)C(=O)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is IMYDLWKGHLOSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)13-8-12(17-18-13)14(20)19(4)10-11-6-5-7-16-9-11/h5-9H,10H2,1-4H3,(H,17,18).
What are the key properties of 5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78880740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).