N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

C19H20N4O2 — CID 70783506

IUPACN-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cnc(C)cc3C)[nH]n2)cc1
InChIInChI=1S/C19H20N4O2/c1-12-8-13(2)20-10-15(12)11-21-19(24)18-9-17(22-23-18)14-4-6-16(25-3)7-5-14/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyJLDSKCFRRJVVQJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.03
Rot. Bonds5

About N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 70783506) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID70783506
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cnc(C)cc3C)[nH]n2)cc1
InChIInChI=1S/C19H20N4O2/c1-12-8-13(2)20-10-15(12)11-21-19(24)18-9-17(22-23-18)14-4-6-16(25-3)7-5-14/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyJLDSKCFRRJVVQJ-UHFFFAOYSA-N
XLogP3.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508772
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20864956
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
3-(4-methoxyphenyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50977161
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
3-(3,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918354
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 70783506) is N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cnc(C)cc3C)[nH]n2)cc1.
What is the InChIKey of N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JLDSKCFRRJVVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-8-13(2)20-10-15(12)11-21-19(24)18-9-17(22-23-18)14-4-6-16(25-3)7-5-14/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70783506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).