N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide

C12H18N4O — CID 11839029

IUPACN-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCC1CCC/C1=N\NC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C12H18N4O/c1-3-9-5-4-6-10(9)14-16-12(17)11-7-8(2)13-15-11/h7,9H,3-6H2,1-2H3,(H,13,15)(H,16,17)/b14-10+
InChIKeyCFFQWEWILLUSGJ-GXDHUFHOSA-N
MW234.30 g/mol
LogP2.01
Rot. Bonds3

About N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 11839029) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID11839029
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCC1CCC/C1=N\NC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C12H18N4O/c1-3-9-5-4-6-10(9)14-16-12(17)11-7-8(2)13-15-11/h7,9H,3-6H2,1-2H3,(H,13,15)(H,16,17)/b14-10+
InChIKeyCFFQWEWILLUSGJ-GXDHUFHOSA-N
XLogP2.01
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.01
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-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide (CID 11839029) is N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide is CCC1CCC/C1=N\NC(=O)c1cc(C)[nH]n1.
What is the InChIKey of N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CFFQWEWILLUSGJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-9-5-4-6-10(9)14-16-12(17)11-7-8(2)13-15-11/h7,9H,3-6H2,1-2H3,(H,13,15)(H,16,17)/b14-10+.
What are the key properties of N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethylcyclopentylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 11839029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).