N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide

C23H22N4O2 — CID 166403509

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H22N4O2/c1-2-22(28)24-15-16-8-10-18(11-9-16)23(29)25-21-14-20(17-12-13-17)26-27(21)19-6-4-3-5-7-19/h2-11,14,17H,1,12-13,15H2,(H,24,28)(H,25,29)
InChIKeyOERSLJQGVYTPGW-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.80
Rot. Bonds7

About N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide (PubChem CID 166403509) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide
PubChem CID166403509
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H22N4O2/c1-2-22(28)24-15-16-8-10-18(11-9-16)23(29)25-21-14-20(17-12-13-17)26-27(21)19-6-4-3-5-7-19/h2-11,14,17H,1,12-13,15H2,(H,24,28)(H,25,29)
InChIKeyOERSLJQGVYTPGW-UHFFFAOYSA-N
XLogP3.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71943773
4-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)benzamide
CID 78830462
3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
CID 134797164
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide
CID 146106040
3-cyclopropyl-1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 18132423
4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide
CID 34626707
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide
CID 78830472

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide (CID 166403509) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide is C=CC(=O)NCc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide?
The InChIKey is OERSLJQGVYTPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-22(28)24-15-16-8-10-18(11-9-16)23(29)25-21-14-20(17-12-13-17)26-27(21)19-6-4-3-5-7-19/h2-11,14,17H,1,12-13,15H2,(H,24,28)(H,25,29).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide has a molecular weight of 386.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide is sourced from PubChem (CID 166403509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).