N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide

C14H19N5O2 — CID 169248527

IUPACN-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide
SMILESO=C(NC=NN=CC1CC1)c1ccn(C2CCOCC2)n1
InChIInChI=1S/C14H19N5O2/c20-14(15-10-17-16-9-11-1-2-11)13-3-6-19(18-13)12-4-7-21-8-5-12/h3,6,9-12H,1-2,4-5,7-8H2,(H,15,17,20)
InChIKeyLPRZQOYVVXAOKN-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.39
Rot. Bonds5

About N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide

N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide (PubChem CID 169248527) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide
PubChem CID169248527
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide
SMILESO=C(NC=NN=CC1CC1)c1ccn(C2CCOCC2)n1
InChIInChI=1S/C14H19N5O2/c20-14(15-10-17-16-9-11-1-2-11)13-3-6-19(18-13)12-4-7-21-8-5-12/h3,6,9-12H,1-2,4-5,7-8H2,(H,15,17,20)
InChIKeyLPRZQOYVVXAOKN-UHFFFAOYSA-N
XLogP1.39
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide
CID 166424568
4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120543379
1-cyclopropylpyrazole-3-carboxamide
CID 129189141
1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548381
N-benzyl-1-cyclopropylpyrazole-3-carboxamide
CID 155012818
1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide
CID 99786412
(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 99851518
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid
CID 64748929
3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 86782572
1-cyclopentyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 71968725
1-cyclopentyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 75483755

Frequently Asked Questions

What is the IUPAC name of N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide (CID 169248527) is N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide is O=C(NC=NN=CC1CC1)c1ccn(C2CCOCC2)n1.
What is the InChIKey of N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is LPRZQOYVVXAOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-14(15-10-17-16-9-11-1-2-11)13-3-6-19(18-13)12-4-7-21-8-5-12/h3,6,9-12H,1-2,4-5,7-8H2,(H,15,17,20).
What are the key properties of N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide?
N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 169248527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).