N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide

C10H14N4O — CID 922022

IUPACN-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(C)[nH]n1)C1CC1
InChIInChI=1S/C10H14N4O/c1-6-5-9(13-11-6)10(15)14-12-7(2)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyPIBMMRJRXLVHFH-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.23
Rot. Bonds3

About N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide

N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 922022) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID922022
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(C)[nH]n1)C1CC1
InChIInChI=1S/C10H14N4O/c1-6-5-9(13-11-6)10(15)14-12-7(2)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyPIBMMRJRXLVHFH-UHFFFAOYSA-N
XLogP1.23
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide (CID 922022) is N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide is CC(=NNC(=O)c1cc(C)[nH]n1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PIBMMRJRXLVHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6-5-9(13-11-6)10(15)14-12-7(2)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide?
N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 922022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).