1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide

C15H18ClN3O — CID 100793090

IUPAC1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide
SMILESCCCc1ccc(C(=O)NN)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-2-3-13-8-9-14(15(20)18-17)19(13)10-11-4-6-12(16)7-5-11/h4-9H,2-3,10,17H2,1H3,(H,18,20)
InChIKeyKAJHMCPQQIEDBV-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.75
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide

1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide (PubChem CID 100793090) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide
PubChem CID100793090
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide
SMILESCCCc1ccc(C(=O)NN)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-2-3-13-8-9-14(15(20)18-17)19(13)10-11-4-6-12(16)7-5-11/h4-9H,2-3,10,17H2,1H3,(H,18,20)
InChIKeyKAJHMCPQQIEDBV-UHFFFAOYSA-N
XLogP2.75
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide
CID 100793217
5-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-2-carbohydrazide
CID 100792617
1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide
CID 24711857
2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
CID 5239334
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
2-chloro-4-propylbenzohydrazide
CID 138958414
2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431516
butyl 3-(4-chlorophenyl)propanoate
CID 24808099
4-[5-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2,4-dioxobutanoic acid
CID 20696845
3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide
CID 91871484
[1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol
CID 100793458
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide (CID 100793090) is 1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide is CCCc1ccc(C(=O)NN)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide?
The InChIKey is KAJHMCPQQIEDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-3-13-8-9-14(15(20)18-17)19(13)10-11-4-6-12(16)7-5-11/h4-9H,2-3,10,17H2,1H3,(H,18,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide?
1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide has a molecular weight of 291.78 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-propylpyrrole-2-carbohydrazide is sourced from PubChem (CID 100793090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).