(3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate

C15H13ClN4O2 — CID 68886644

IUPAC(3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate
SMILESNc1n[nH]c2cc(OC(=O)NCc3cccc(Cl)c3)ccc12
InChIInChI=1S/C15H13ClN4O2/c16-10-3-1-2-9(6-10)8-18-15(21)22-11-4-5-12-13(7-11)19-20-14(12)17/h1-7H,8H2,(H,18,21)(H3,17,19,20)
InChIKeyWYJZYPIQHPNZJX-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.09
Rot. Bonds3

About (3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate

(3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate (PubChem CID 68886644) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is (3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate.

Molecular Properties

Compound Name(3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate
PubChem CID68886644
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name(3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate
SMILESNc1n[nH]c2cc(OC(=O)NCc3cccc(Cl)c3)ccc12
InChIInChI=1S/C15H13ClN4O2/c16-10-3-1-2-9(6-10)8-18-15(21)22-11-4-5-12-13(7-11)19-20-14(12)17/h1-7H,8H2,(H,18,21)(H3,17,19,20)
InChIKeyWYJZYPIQHPNZJX-UHFFFAOYSA-N
XLogP3.09
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-chlorophenyl)methoxy]-1H-indazol-3-amine
CID 126696122
3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide
CID 58985468
2-(3-amino-1H-indazol-6-yl)-N-[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 69233196
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide
CID 59292119
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate?
The IUPAC name of (3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate (CID 68886644) is (3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate.
What is the SMILES notation for (3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate?
The canonical SMILES for (3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate is Nc1n[nH]c2cc(OC(=O)NCc3cccc(Cl)c3)ccc12.
What is the InChIKey of (3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate?
The InChIKey is WYJZYPIQHPNZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c16-10-3-1-2-9(6-10)8-18-15(21)22-11-4-5-12-13(7-11)19-20-14(12)17/h1-7H,8H2,(H,18,21)(H3,17,19,20).
What are the key properties of (3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate?
(3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate has a molecular weight of 316.75 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate is sourced from PubChem (CID 68886644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).