5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide

C14H17N5O — CID 44723927

IUPAC5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccncc1
InChIInChI=1S/C14H17N5O/c1-9(2)12-8-13(18-17-12)14(20)19-16-10(3)11-4-6-15-7-5-11/h4-9H,1-3H3,(H,17,18)(H,19,20)/b16-10+
InChIKeySLYIKCZQAMLYBX-MHWRWJLKSA-N
MW271.32 g/mol
LogP2.08
Rot. Bonds4

About 5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide

5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 44723927) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID44723927
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccncc1
InChIInChI=1S/C14H17N5O/c1-9(2)12-8-13(18-17-12)14(20)19-16-10(3)11-4-6-15-7-5-11/h4-9H,1-3H3,(H,17,18)(H,19,20)/b16-10+
InChIKeySLYIKCZQAMLYBX-MHWRWJLKSA-N
XLogP2.08
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide (CID 44723927) is 5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccncc1.
What is the InChIKey of 5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is SLYIKCZQAMLYBX-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9(2)12-8-13(18-17-12)14(20)19-16-10(3)11-4-6-15-7-5-11/h4-9H,1-3H3,(H,17,18)(H,19,20)/b16-10+.
What are the key properties of 5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 44723927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).