5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide

C27H25N5O3 — CID 55824547

IUPAC5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H25N5O3/c1-3-17-28-27(34)30-21-13-11-20(12-14-21)29-26(33)24-18-25(19-9-15-23(35-2)16-10-19)32(31-24)22-7-5-4-6-8-22/h3-16,18H,1,17H2,2H3,(H,29,33)(H2,28,30,34)
InChIKeyMZWZLPWXTHYCPN-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.11
Rot. Bonds8

About 5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide

5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide (PubChem CID 55824547) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
PubChem CID55824547
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H25N5O3/c1-3-17-28-27(34)30-21-13-11-20(12-14-21)29-26(33)24-18-25(19-9-15-23(35-2)16-10-19)32(31-24)22-7-5-4-6-8-22/h3-16,18H,1,17H2,2H3,(H,29,33)(H2,28,30,34)
InChIKeyMZWZLPWXTHYCPN-UHFFFAOYSA-N
XLogP5.11
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
sodium [4-[[5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbonyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377475
5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 55775986
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53002283
N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 60509217
5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 155947371
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 10049148
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 56559254

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide (CID 55824547) is 5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide is C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The InChIKey is MZWZLPWXTHYCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-3-17-28-27(34)30-21-13-11-20(12-14-21)29-26(33)24-18-25(19-9-15-23(35-2)16-10-19)32(31-24)22-7-5-4-6-8-22/h3-16,18H,1,17H2,2H3,(H,29,33)(H2,28,30,34).
What are the key properties of 5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 5.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55824547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).