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

C12H18N4O — CID 5411187

IUPACN-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC[C@H]1CCC/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-/t9-/m0/s1
InChIKeyCFFQWEWILLUSGJ-DCMHDJSWSA-N
MW234.30 g/mol
LogP2.01
Rot. Bonds3

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

N-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 5411187) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID5411187
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC[C@H]1CCC/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-/t9-/m0/s1
InChIKeyCFFQWEWILLUSGJ-DCMHDJSWSA-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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Related Compounds

3-methyl-1H-pyrazole-5-carbohydrazide
CID 737234
3-Methyl-1H-pyrazole-5-carboxamide
CID 15920410
1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide
CID 3689609
3-tert-butyl-1H-pyrazole-5-carbohydrazide
CID 718956
3-methyl-N'-(1,2,2-trimethylpropylidene)-1H-pyrazole-5-carbohydrazide
CID 5411186
3-methyl-N'-(3-methylcyclohexylidene)-1H-pyrazole-5-carbohydrazide
CID 5997967
N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 7278032
N'-(2-ethylcyclopentylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 11839029
5-methyl-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazole-3-carbohydrazide
CID 2315324
5-(2,2-difluorocyclopropyl)-1H-pyrazole-3-carbohydrazide
CID 166803138
5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide
CID 174238445
3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 53501411

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide (CID 5411187) is N-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide is CC[C@H]1CCC/C1=N/NC(=O)c1cc(C)[nH]n1.
What is the InChIKey of N-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CFFQWEWILLUSGJ-DCMHDJSWSA-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-/t9-/m0/s1.
What are the key properties of N-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(Z)-[(2S)-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-[(Z)-[(2S)-2-ethylcyclopentylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5411187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).