5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide

C14H15N5O — CID 946133

IUPAC5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(C2CC2)[nH]n1)c1ccncc1
InChIInChI=1S/C14H15N5O/c1-9(10-4-6-15-7-5-10)16-19-14(20)13-8-12(17-18-13)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyUUMFLZLOVYVIDO-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.84
Rot. Bonds4

About 5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide (PubChem CID 946133) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide
PubChem CID946133
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(C2CC2)[nH]n1)c1ccncc1
InChIInChI=1S/C14H15N5O/c1-9(10-4-6-15-7-5-10)16-19-14(20)13-8-12(17-18-13)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyUUMFLZLOVYVIDO-UHFFFAOYSA-N
XLogP1.84
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.84
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)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 5424926
5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 760934
5-cyclopropyl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 930299
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 51057011
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 74235280
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912
5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5412764
N-[1-(4-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 828961
N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 742328
5-cyclopropyl-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5402389
N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 4284932

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide (CID 946133) is 5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide is CC(=NNC(=O)c1cc(C2CC2)[nH]n1)c1ccncc1.
What is the InChIKey of 5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide?
The InChIKey is UUMFLZLOVYVIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9(10-4-6-15-7-5-10)16-19-14(20)13-8-12(17-18-13)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 946133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).