(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine

C13H18N4 — CID 141288555

IUPAC(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine
SMILESCn1cccc1-c1cc([C@H]2CCCNC2)[nH]n1
InChIInChI=1S/C13H18N4/c1-17-7-3-5-13(17)12-8-11(15-16-12)10-4-2-6-14-9-10/h3,5,7-8,10,14H,2,4,6,9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyZJTNNXZECLROHO-JTQLQIEISA-N
MW230.31 g/mol
LogP1.88
Rot. Bonds2

About (3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine

(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine (PubChem CID 141288555) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine
PubChem CID141288555
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine
SMILESCn1cccc1-c1cc([C@H]2CCCNC2)[nH]n1
InChIInChI=1S/C13H18N4/c1-17-7-3-5-13(17)12-8-11(15-16-12)10-4-2-6-14-9-10/h3,5,7-8,10,14H,2,4,6,9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyZJTNNXZECLROHO-JTQLQIEISA-N
XLogP1.88
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141288565
1-methyl-3-piperidin-3-ylpyridin-2-one
CID 166162666
(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 141288508
2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride
CID 141269036
2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride
CID 141288561
3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole
CID 130454690
5-[(3R)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 92615149
(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine
CID 141269013
1,5-dimethyl-6-piperidin-3-ylpyrrolo[3,2-b]pyridine
CID 142415545
(3S)-3-(1-ethylpyrrol-2-yl)piperidine
CID 125425376
2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride
CID 71298839
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine (CID 141288555) is (3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine is Cn1cccc1-c1cc([C@H]2CCCNC2)[nH]n1.
What is the InChIKey of (3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is ZJTNNXZECLROHO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4/c1-17-7-3-5-13(17)12-8-11(15-16-12)10-4-2-6-14-9-10/h3,5,7-8,10,14H,2,4,6,9H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine?
(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 230.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 141288555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).