3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide

C18H20N6O2 — CID 134706261

IUPAC3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3cnn(CC(=O)NC)c3)[nH]n2)cc1
InChIInChI=1S/C18H20N6O2/c1-3-12-4-6-13(7-5-12)15-8-16(23-22-15)18(26)21-14-9-20-24(10-14)11-17(25)19-2/h4-10H,3,11H2,1-2H3,(H,19,25)(H,21,26)(H,22,23)
InChIKeyKIXAMYHRCAVVAP-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.83
Rot. Bonds6

About 3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide

3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 134706261) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID134706261
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3cnn(CC(=O)NC)c3)[nH]n2)cc1
InChIInChI=1S/C18H20N6O2/c1-3-12-4-6-13(7-5-12)15-8-16(23-22-15)18(26)21-14-9-20-24(10-14)11-17(25)19-2/h4-10H,3,11H2,1-2H3,(H,19,25)(H,21,26)(H,22,23)
InChIKeyKIXAMYHRCAVVAP-UHFFFAOYSA-N
XLogP1.83
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509312
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510337
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19411696
3,5-dibromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103908065
2-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 60932817
2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 134710621
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513661
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 131941004
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513614
3-(1,3-benzodioxol-5-yl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19513484
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide (CID 134706261) is 3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide is CCc1ccc(-c2cc(C(=O)Nc3cnn(CC(=O)NC)c3)[nH]n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is KIXAMYHRCAVVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-3-12-4-6-13(7-5-12)15-8-16(23-22-15)18(26)21-14-9-20-24(10-14)11-17(25)19-2/h4-10H,3,11H2,1-2H3,(H,19,25)(H,21,26)(H,22,23).
What are the key properties of 3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 134706261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).