5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide

C16H17ClN4O2 — CID 111458447

IUPAC5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide
SMILESCn1cc(C(C)(O)CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1
InChIInChI=1S/C16H17ClN4O2/c1-16(23,11-7-19-21(2)8-11)9-18-15(22)14-6-10-5-12(17)3-4-13(10)20-14/h3-8,20,23H,9H2,1-2H3,(H,18,22)
InChIKeyLDQJRJHDVUSQBB-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.19
Rot. Bonds4

About 5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide

5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 111458447) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide
PubChem CID111458447
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide
SMILESCn1cc(C(C)(O)CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1
InChIInChI=1S/C16H17ClN4O2/c1-16(23,11-7-19-21(2)8-11)9-18-15(22)14-6-10-5-12(17)3-4-13(10)20-14/h3-8,20,23H,9H2,1-2H3,(H,18,22)
InChIKeyLDQJRJHDVUSQBB-UHFFFAOYSA-N
XLogP2.19
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
1-(3-chlorophenyl)-3-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 96508358
2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111519861
4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide
CID 111696564
4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 118425264
5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836
5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458419
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 111458450
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide (CID 111458447) is 5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide is Cn1cc(C(C)(O)CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1.
What is the InChIKey of 5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide?
The InChIKey is LDQJRJHDVUSQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-16(23,11-7-19-21(2)8-11)9-18-15(22)14-6-10-5-12(17)3-4-13(10)20-14/h3-8,20,23H,9H2,1-2H3,(H,18,22).
What are the key properties of 5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 111458447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).