3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide

C17H17ClN4O — CID 58985468

IUPAC3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide
SMILESNc1n[nH]c2ccc(CCC(=O)NCc3cccc(Cl)c3)cc12
InChIInChI=1S/C17H17ClN4O/c18-13-3-1-2-12(8-13)10-20-16(23)7-5-11-4-6-15-14(9-11)17(19)22-21-15/h1-4,6,8-9H,5,7,10H2,(H,20,23)(H3,19,21,22)
InChIKeyWJAAIGJTDNDCCS-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.05
Rot. Bonds5

About 3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide

3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide (PubChem CID 58985468) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide
PubChem CID58985468
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide
SMILESNc1n[nH]c2ccc(CCC(=O)NCc3cccc(Cl)c3)cc12
InChIInChI=1S/C17H17ClN4O/c18-13-3-1-2-12(8-13)10-20-16(23)7-5-11-4-6-15-14(9-11)17(19)22-21-15/h1-4,6,8-9H,5,7,10H2,(H,20,23)(H3,19,21,22)
InChIKeyWJAAIGJTDNDCCS-UHFFFAOYSA-N
XLogP3.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
(3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate
CID 68886644
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide
CID 173090749
3-[(3-amino-1H-indazol-5-yl)amino]-4-[2-(3-chlorophenyl)ethylamino]cyclobut-3-ene-1,2-dione
CID 57475513
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11280967
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide (CID 58985468) is 3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide is Nc1n[nH]c2ccc(CCC(=O)NCc3cccc(Cl)c3)cc12.
What is the InChIKey of 3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide?
The InChIKey is WJAAIGJTDNDCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(8-13)10-20-16(23)7-5-11-4-6-15-14(9-11)17(19)22-21-15/h1-4,6,8-9H,5,7,10H2,(H,20,23)(H3,19,21,22).
What are the key properties of 3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide?
3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide has a molecular weight of 328.80 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 58985468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).