3-methyl-1-(1H-pyrazol-4-yl)piperidine

C9H15N3 — CID 131085917

IUPAC3-methyl-1-(1H-pyrazol-4-yl)piperidine
SMILESCC1CCCN(c2cn[nH]c2)C1
InChIInChI=1S/C9H15N3/c1-8-3-2-4-12(7-8)9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11)
InChIKeySYVDNMQOPAFCHA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.65
Rot. Bonds1

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

3-methyl-1-(1H-pyrazol-4-yl)piperidine (PubChem CID 131085917) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrazol-4-yl)piperidine
PubChem CID131085917
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-methyl-1-(1H-pyrazol-4-yl)piperidine
SMILESCC1CCCN(c2cn[nH]c2)C1
InChIInChI=1S/C9H15N3/c1-8-3-2-4-12(7-8)9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11)
InChIKeySYVDNMQOPAFCHA-UHFFFAOYSA-N
XLogP1.65
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine
CID 131154051
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole
CID 95566830
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 126422492
(3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 175834567
2-chloro-4-(3-methylpiperidin-1-yl)pyridine
CID 103721685
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
methyl 4-[(3S)-3-methylpiperidin-1-yl]benzoate
CID 90090006
N-cyclohexyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109182975
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 75485261

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of 3-methyl-1-(1H-pyrazol-4-yl)piperidine (CID 131085917) is 3-methyl-1-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 3-methyl-1-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 3-methyl-1-(1H-pyrazol-4-yl)piperidine is CC1CCCN(c2cn[nH]c2)C1.
What is the InChIKey of 3-methyl-1-(1H-pyrazol-4-yl)piperidine?
The InChIKey is SYVDNMQOPAFCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-3-2-4-12(7-8)9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11).
What are the key properties of 3-methyl-1-(1H-pyrazol-4-yl)piperidine?
3-methyl-1-(1H-pyrazol-4-yl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 131085917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).