N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide

C16H17N3OS — CID 61394676

IUPACN-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H17N3OS/c1-11(2)19(10-12-6-5-9-21-12)16(20)15-13-7-3-4-8-14(13)17-18-15/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyNYIFMRPCIDOPHX-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.68
Rot. Bonds4

About N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide

N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 61394676) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID61394676
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H17N3OS/c1-11(2)19(10-12-6-5-9-21-12)16(20)15-13-7-3-4-8-14(13)17-18-15/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyNYIFMRPCIDOPHX-UHFFFAOYSA-N
XLogP3.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62077582
4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080802
N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60636572
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55115786
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119723936

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide (CID 61394676) is N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide is CC(C)N(Cc1cccs1)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is NYIFMRPCIDOPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11(2)19(10-12-6-5-9-21-12)16(20)15-13-7-3-4-8-14(13)17-18-15/h3-9,11H,10H2,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide?
N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 61394676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).