N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H19N5O — CID 742328

IUPACN-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(C(C)C)[nH]n1)c1ccc(N)cc1
InChIInChI=1S/C15H19N5O/c1-9(2)13-8-14(19-18-13)15(21)20-17-10(3)11-4-6-12(16)7-5-11/h4-9H,16H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyFUNIZDPUPRPUOB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.27
Rot. Bonds4

About N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 742328) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID742328
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(C(C)C)[nH]n1)c1ccc(N)cc1
InChIInChI=1S/C15H19N5O/c1-9(2)13-8-14(19-18-13)15(21)20-17-10(3)11-4-6-12(16)7-5-11/h4-9H,16H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyFUNIZDPUPRPUOB-UHFFFAOYSA-N
XLogP2.27
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 5403042
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 7098508
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[1-(4-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 828961
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 4284932
5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 760934
N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 4829581
5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 5424926
N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 71951735
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide
CID 97186271

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 742328) is N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(=NNC(=O)c1cc(C(C)C)[nH]n1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is FUNIZDPUPRPUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9(2)13-8-14(19-18-13)15(21)20-17-10(3)11-4-6-12(16)7-5-11/h4-9H,16H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 742328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).