4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine

C9H17N3 — CID 170763584

IUPAC4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine
SMILESCN1NCC=C1C1CCNCC1
InChIInChI=1S/C9H17N3/c1-12-9(4-7-11-12)8-2-5-10-6-3-8/h4,8,10-11H,2-3,5-7H2,1H3
InChIKeyCGTXNMULQSGLMR-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.32
Rot. Bonds1

About 4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine

4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine (PubChem CID 170763584) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine
PubChem CID170763584
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine
SMILESCN1NCC=C1C1CCNCC1
InChIInChI=1S/C9H17N3/c1-12-9(4-7-11-12)8-2-5-10-6-3-8/h4,8,10-11H,2-3,5-7H2,1H3
InChIKeyCGTXNMULQSGLMR-UHFFFAOYSA-N
XLogP0.32
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(4,4-difluorobutyl)-2-methyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 166655081
4-(3-Tert-butyl-2-ethyl-4-methyl-1,5-dihydropyrazol-5-yl)piperidine
CID 21912836
4-(3-Tert-butyl-2-ethyl-4-methyl-1,3-dihydropyrazol-5-yl)piperidine
CID 69666142
(2E)-3-methylidene-2-(3-methylpentylidene)piperidin-1-amine
CID 89349405
[(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene
CID 134406152
(1Z,3Z)-1-piperidin-4-ylpenta-1,3-diene-1,4-diamine
CID 134406164
3-Butan-2-yl-2-methyl-1,5-dihydropyrazole
CID 134513687
(Z)-N-methyl-1-(1-methylpiperidin-4-yl)but-1-en-1-amine
CID 135161909
1-methyl-2-[(Z)-4-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-2-yl]hydrazine
CID 138654966
3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine
CID 142002248
4-(2,3-dihydro-1H-pyrazol-5-yl)piperidine
CID 142155883
(Z)-1-piperidin-4-yl-N-prop-1-en-2-ylprop-1-en-1-amine
CID 142187220

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine?
The IUPAC name of 4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine (CID 170763584) is 4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine.
What is the SMILES notation for 4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine?
The canonical SMILES for 4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine is CN1NCC=C1C1CCNCC1.
What is the InChIKey of 4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine?
The InChIKey is CGTXNMULQSGLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-12-9(4-7-11-12)8-2-5-10-6-3-8/h4,8,10-11H,2-3,5-7H2,1H3.
What are the key properties of 4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine?
4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine has a molecular weight of 167.26 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,5-dihydropyrazol-3-yl)piperidine is sourced from PubChem (CID 170763584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).