5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide

C16H19N5O — CID 5412764

IUPAC5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C16H19N5O/c1-21(2)13-7-3-11(4-8-13)10-17-20-16(22)15-9-14(18-19-15)12-5-6-12/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,19)(H,20,22)/b17-10-
InChIKeyAMRVUPOLZVGRSR-YVLHZVERSA-N
MW297.36 g/mol
LogP2.12
Rot. Bonds5

About 5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5412764) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5412764
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C16H19N5O/c1-21(2)13-7-3-11(4-8-13)10-17-20-16(22)15-9-14(18-19-15)12-5-6-12/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,19)(H,20,22)/b17-10-
InChIKeyAMRVUPOLZVGRSR-YVLHZVERSA-N
XLogP2.12
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5402389
N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 760857
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
5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5412739
5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760842
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 5445597
5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760814
5-cyclopropyl-N-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760855
5-cyclopropyl-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 847664
2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide
CID 3659408
5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 940139

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide (CID 5412764) is 5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide is CN(C)c1ccc(/C=N\NC(=O)c2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is AMRVUPOLZVGRSR-YVLHZVERSA-N. The full InChI is InChI=1S/C16H19N5O/c1-21(2)13-7-3-11(4-8-13)10-17-20-16(22)15-9-14(18-19-15)12-5-6-12/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,19)(H,20,22)/b17-10-.
What are the key properties of 5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5412764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).