5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

C14H14N4O3 — CID 760814

IUPAC5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(NN=Cc1ccc(O)cc1O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14N4O3/c19-10-4-3-9(13(20)5-10)7-15-18-14(21)12-6-11(16-17-12)8-1-2-8/h3-8,19-20H,1-2H2,(H,16,17)(H,18,21)
InChIKeyRHUYPYMXHNDYSC-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.46
Rot. Bonds4

About 5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 760814) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID760814
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(NN=Cc1ccc(O)cc1O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14N4O3/c19-10-4-3-9(13(20)5-10)7-15-18-14(21)12-6-11(16-17-12)8-1-2-8/h3-8,19-20H,1-2H2,(H,16,17)(H,18,21)
InChIKeyRHUYPYMXHNDYSC-UHFFFAOYSA-N
XLogP1.46
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 136728469
5-cyclopropyl-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5402389
5-cyclopropyl-N-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760855
N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 760857
5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760842
5-cyclopropyl-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 847664
5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 940139
5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5412764
5-cyclopropyl-N-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760813
5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6867422
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135400326
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 760814) is 5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is O=C(NN=Cc1ccc(O)cc1O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is RHUYPYMXHNDYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-10-4-3-9(13(20)5-10)7-15-18-14(21)12-6-11(16-17-12)8-1-2-8/h3-8,19-20H,1-2H2,(H,16,17)(H,18,21).
What are the key properties of 5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 760814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).