4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride

C9H17Cl2N3 — CID 71757999

IUPAC4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride
SMILESCc1cc(C2CCNCC2)n[nH]1.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-7-6-9(12-11-7)8-2-4-10-5-3-8;;/h6,8,10H,2-5H2,1H3,(H,11,12);2*1H
InChIKeyYMTHZHNLCVXUGB-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.03
Rot. Bonds1

About 4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride

4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride (PubChem CID 71757999) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride
PubChem CID71757999
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride
SMILESCc1cc(C2CCNCC2)n[nH]1.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-7-6-9(12-11-7)8-2-4-10-5-3-8;;/h6,8,10H,2-5H2,1H3,(H,11,12);2*1H
InChIKeyYMTHZHNLCVXUGB-UHFFFAOYSA-N
XLogP2.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-Pyrazol-5-yl)piperidine
CID 21193114
3-(1H-pyrazol-5-yl)piperidine
CID 42961301
1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
3,5-Diisopropylpyrazole
CID 5255229
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
1-(5-Cyclopropyl-1H-pyrazol-3-YL)-N-methylmethanamine
CID 44236867
3-(piperidin-4-yl)-1H-pyrazol-5-amine
CID 45792668
4-(1H-pyrazol-5-ylmethyl)piperidine
CID 75355610
3-(1H-pyrazol-5-yl)piperidine dihydrochloride
CID 42961300
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-isopropyl-1H-pyrazol-5-yl)piperidine
CID 56710882
1-isobutyl-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
CID 56712928

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride (CID 71757999) is 4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride is Cc1cc(C2CCNCC2)n[nH]1.Cl.Cl.
What is the InChIKey of 4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride?
The InChIKey is YMTHZHNLCVXUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-7-6-9(12-11-7)8-2-4-10-5-3-8;;/h6,8,10H,2-5H2,1H3,(H,11,12);2*1H.
What are the key properties of 4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride?
4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-pyrazol-3-yl)piperidine;dihydrochloride is sourced from PubChem (CID 71757999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).