N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide

C17H17ClN4O — CID 22319661

IUPACN-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(N)cc3)cc12
InChIInChI=1S/C17H17ClN4O/c1-2-3-16(23)20-17-13-8-12(10-4-6-11(19)7-5-10)14(18)9-15(13)21-22-17/h4-9H,2-3,19H2,1H3,(H2,20,21,22,23)
InChIKeyPPVJQQRPTBCRFG-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.20
Rot. Bonds4

About N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide

N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide (PubChem CID 22319661) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide
PubChem CID22319661
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(N)cc3)cc12
InChIInChI=1S/C17H17ClN4O/c1-2-3-16(23)20-17-13-8-12(10-4-6-11(19)7-5-10)14(18)9-15(13)21-22-17/h4-9H,2-3,19H2,1H3,(H2,20,21,22,23)
InChIKeyPPVJQQRPTBCRFG-UHFFFAOYSA-N
XLogP4.20
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide (CID 22319661) is N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(N)cc3)cc12.
What is the InChIKey of N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide?
The InChIKey is PPVJQQRPTBCRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-2-3-16(23)20-17-13-8-12(10-4-6-11(19)7-5-10)14(18)9-15(13)21-22-17/h4-9H,2-3,19H2,1H3,(H2,20,21,22,23).
What are the key properties of N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide?
N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide has a molecular weight of 328.80 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-6-chloro-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).