5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

C15H16N4O3 — CID 760842

IUPAC5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cc(C3CC3)[nH]n2)ccc1O
InChIInChI=1S/C15H16N4O3/c1-22-14-6-9(2-5-13(14)20)8-16-19-15(21)12-7-11(17-18-12)10-3-4-10/h2,5-8,10,20H,3-4H2,1H3,(H,17,18)(H,19,21)
InChIKeyFOSVMOOLLRITGF-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.77
Rot. Bonds5

About 5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 760842) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID760842
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cc(C3CC3)[nH]n2)ccc1O
InChIInChI=1S/C15H16N4O3/c1-22-14-6-9(2-5-13(14)20)8-16-19-15(21)12-7-11(17-18-12)10-3-4-10/h2,5-8,10,20H,3-4H2,1H3,(H,17,18)(H,19,21)
InChIKeyFOSVMOOLLRITGF-UHFFFAOYSA-N
XLogP1.77
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6867422
5-cyclopropyl-N-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760813
5-cyclopropyl-N-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760855
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135521451
5-cyclopropyl-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5402389
5-tert-butyl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135514234
N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 760857
5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5412764
5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760814
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
CID 135782124
5-cyclopropyl-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 847664
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 760842) is 5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is COc1cc(C=NNC(=O)c2cc(C3CC3)[nH]n2)ccc1O.
What is the InChIKey of 5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is FOSVMOOLLRITGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-22-14-6-9(2-5-13(14)20)8-16-19-15(21)12-7-11(17-18-12)10-3-4-10/h2,5-8,10,20H,3-4H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 760842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).