N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide

C22H19N5O4 — CID 95796047

IUPACN-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N/N=c3/oc4ccccc4cc3C(N)=O)[nH]n2)cc1
InChIInChI=1S/C22H19N5O4/c1-2-30-15-9-7-13(8-10-15)17-12-18(25-24-17)21(29)26-27-22-16(20(23)28)11-14-5-3-4-6-19(14)31-22/h3-12H,2H2,1H3,(H2,23,28)(H,24,25)(H,26,29)/b27-22+
InChIKeyFXUVLSBBXRIHQV-HPNDGRJYSA-N
MW417.43 g/mol
LogP2.57
Rot. Bonds6

About N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 95796047) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID95796047
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC NameN-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N/N=c3/oc4ccccc4cc3C(N)=O)[nH]n2)cc1
InChIInChI=1S/C22H19N5O4/c1-2-30-15-9-7-13(8-10-15)17-12-18(25-24-17)21(29)26-27-22-16(20(23)28)11-14-5-3-4-6-19(14)31-22/h3-12H,2H2,1H3,(H2,23,28)(H,24,25)(H,26,29)/b27-22+
InChIKeyFXUVLSBBXRIHQV-HPNDGRJYSA-N
XLogP2.57
TPSA135.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-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

(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 95796044
2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3459938
2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 5186461
(2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide
CID 6279835
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657
(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 21239666
N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803284
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128451
3-(4-ethoxyphenyl)-N-[(4-methylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5076714
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5450220

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 95796047) is N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2cc(C(=O)N/N=c3/oc4ccccc4cc3C(N)=O)[nH]n2)cc1.
What is the InChIKey of N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FXUVLSBBXRIHQV-HPNDGRJYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-2-30-15-9-7-13(8-10-15)17-12-18(25-24-17)21(29)26-27-22-16(20(23)28)11-14-5-3-4-6-19(14)31-22/h3-12H,2H2,1H3,(H2,23,28)(H,24,25)(H,26,29)/b27-22+.
What are the key properties of N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 95796047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).