N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

C15H19N5O — CID 4829581

IUPACN-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NN=C(C)c2ccc(N)cc2)c1C
InChIInChI=1S/C15H19N5O/c1-4-13-9(2)14(19-18-13)15(21)20-17-10(3)11-5-7-12(16)8-6-11/h5-8H,4,16H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyKHRLBXWQEIGURF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.02
Rot. Bonds4

About N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 4829581) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID4829581
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NN=C(C)c2ccc(N)cc2)c1C
InChIInChI=1S/C15H19N5O/c1-4-13-9(2)14(19-18-13)15(21)20-17-10(3)11-5-7-12(16)8-6-11/h5-8H,4,16H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyKHRLBXWQEIGURF-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 742328
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 17337861
N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 71951735
N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 687821
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
CID 7955371
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6381025

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (CID 4829581) is N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NN=C(C)c2ccc(N)cc2)c1C.
What is the InChIKey of N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KHRLBXWQEIGURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-4-13-9(2)14(19-18-13)15(21)20-17-10(3)11-5-7-12(16)8-6-11/h5-8H,4,16H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.02, 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-ethyl-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 4829581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).