N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide

C16H15N5O3 — CID 4970649

IUPACN-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(C(=O)c3cnccn3)=NN2)cc1
InChIInChI=1S/C16H15N5O3/c1-24-11-4-2-10(3-5-11)19-16(23)13-8-12(20-21-13)15(22)14-9-17-6-7-18-14/h2-7,9,13,21H,8H2,1H3,(H,19,23)
InChIKeyZQNDHODEIIMKAI-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.02
Rot. Bonds5

About N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide

N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide (PubChem CID 4970649) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
PubChem CID4970649
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(C(=O)c3cnccn3)=NN2)cc1
InChIInChI=1S/C16H15N5O3/c1-24-11-4-2-10(3-5-11)19-16(23)13-8-12(20-21-13)15(22)14-9-17-6-7-18-14/h2-7,9,13,21H,8H2,1H3,(H,19,23)
InChIKeyZQNDHODEIIMKAI-UHFFFAOYSA-N
XLogP1.02
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
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CID 62802669
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
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N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
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N-[1-(4-methoxyphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-methylpyrazine-2-carboxamide
CID 3278740
N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 3240157
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 3202114
N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 1434704
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
(1S,6R)-6-[(4-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7438847

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide (CID 4970649) is N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)C2CC(C(=O)c3cnccn3)=NN2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The InChIKey is ZQNDHODEIIMKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-24-11-4-2-10(3-5-11)19-16(23)13-8-12(20-21-13)15(22)14-9-17-6-7-18-14/h2-7,9,13,21H,8H2,1H3,(H,19,23).
What are the key properties of N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4970649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).