6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide

C17H20ClN5O2 — CID 75398258

IUPAC6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide
SMILESCN(C)CC(O)Cn1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cn1
InChIInChI=1S/C17H20ClN5O2/c1-22(2)9-14(24)10-23-8-13(7-19-23)20-17(25)16-5-11-3-4-12(18)6-15(11)21-16/h3-8,14,21,24H,9-10H2,1-2H3,(H,20,25)
InChIKeyLYNBGEGFLQCBLA-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.19
Rot. Bonds6

About 6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide

6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide (PubChem CID 75398258) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide
PubChem CID75398258
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide
SMILESCN(C)CC(O)Cn1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cn1
InChIInChI=1S/C17H20ClN5O2/c1-22(2)9-14(24)10-23-8-13(7-19-23)20-17(25)16-5-11-3-4-12(18)6-15(11)21-16/h3-8,14,21,24H,9-10H2,1-2H3,(H,20,25)
InChIKeyLYNBGEGFLQCBLA-UHFFFAOYSA-N
XLogP2.19
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167960825
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(4-fluoro-3-methylphenyl)urea
CID 111431651
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 111431072
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea
CID 111430926
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2,5-dimethylphenyl)urea
CID 111430893
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea
CID 95330365
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloro-1H-indole-2-carboxamide
CID 31862421

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide (CID 75398258) is 6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide is CN(C)CC(O)Cn1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cn1.
What is the InChIKey of 6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide?
The InChIKey is LYNBGEGFLQCBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-22(2)9-14(24)10-23-8-13(7-19-23)20-17(25)16-5-11-3-4-12(18)6-15(11)21-16/h3-8,14,21,24H,9-10H2,1-2H3,(H,20,25).
What are the key properties of 6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide?
6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 75398258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).