2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride

C16H19ClN4 — CID 141269036

IUPAC2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride
SMILESCl.c1ccc2[nH]c(-c3cc([C@H]4CCCNC4)[nH]n3)cc2c1
InChIInChI=1S/C16H18N4.ClH/c1-2-6-13-11(4-1)8-15(18-13)16-9-14(19-20-16)12-5-3-7-17-10-12;/h1-2,4,6,8-9,12,17-18H,3,5,7,10H2,(H,19,20);1H/t12-;/m0./s1
InChIKeyNMSOTMYJUVPEIT-YDALLXLXSA-N
MW302.81 g/mol
LogP3.45
Rot. Bonds2

About 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride

2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride (PubChem CID 141269036) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride
PubChem CID141269036
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride
SMILESCl.c1ccc2[nH]c(-c3cc([C@H]4CCCNC4)[nH]n3)cc2c1
InChIInChI=1S/C16H18N4.ClH/c1-2-6-13-11(4-1)8-15(18-13)16-9-14(19-20-16)12-5-3-7-17-10-12;/h1-2,4,6,8-9,12,17-18H,3,5,7,10H2,(H,19,20);1H/t12-;/m0./s1
InChIKeyNMSOTMYJUVPEIT-YDALLXLXSA-N
XLogP3.45
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride
CID 141288561
(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine
CID 141288555
(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 141288508
(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine
CID 141269013
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole
CID 130454690
5-[(3R)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 92615149
2-cyclohexyl-1H-indole
CID 607977
4-chloro-2-piperidin-3-yl-1H-indole
CID 82620573
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464
4-(furan-3-yl)-2-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1H-indole
CID 137113298

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride?
The IUPAC name of 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride (CID 141269036) is 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride.
What is the SMILES notation for 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride?
The canonical SMILES for 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride is Cl.c1ccc2[nH]c(-c3cc([C@H]4CCCNC4)[nH]n3)cc2c1.
What is the InChIKey of 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride?
The InChIKey is NMSOTMYJUVPEIT-YDALLXLXSA-N. The full InChI is InChI=1S/C16H18N4.ClH/c1-2-6-13-11(4-1)8-15(18-13)16-9-14(19-20-16)12-5-3-7-17-10-12;/h1-2,4,6,8-9,12,17-18H,3,5,7,10H2,(H,19,20);1H/t12-;/m0./s1.
What are the key properties of 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride?
2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride is sourced from PubChem (CID 141269036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).