1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine

C10H17N3 — CID 13211759

IUPAC1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine
SMILESCc1cc(CN2CCCCC2)n[nH]1
InChIInChI=1S/C10H17N3/c1-9-7-10(12-11-9)8-13-5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,11,12)
InChIKeyNXKBPQGWZGTMQJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.70
Rot. Bonds2

About 1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine

1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine (PubChem CID 13211759) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine
PubChem CID13211759
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine
SMILESCc1cc(CN2CCCCC2)n[nH]1
InChIInChI=1S/C10H17N3/c1-9-7-10(12-11-9)8-13-5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,11,12)
InChIKeyNXKBPQGWZGTMQJ-UHFFFAOYSA-N
XLogP1.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
CID 3157457
(3-methyl-1H-pyrazol-5-yl)methanamine
CID 7446898
1-isobutyl-4-{1-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-pyrrolidinyl}piperidine
CID 45194228
2-{1-isopropyl-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45218135
N-methyl-N-[(5-propyl-1H-pyrazol-3-yl)methyl]tetrahydro-2H-thiopyran-4-amine
CID 50974668
1-isobutyl-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
CID 56712928
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665
Diethyl-(5-trifluoromethyl-1H-pyrazol-3-ylmethyl)-amine
CID 11138670
N-Methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine dihydrochloride
CID 45075093
Cambridge id 5152652
CID 786812

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine (CID 13211759) is 1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine is Cc1cc(CN2CCCCC2)n[nH]1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The InChIKey is NXKBPQGWZGTMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-7-10(12-11-9)8-13-5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,11,12).
What are the key properties of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 13211759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).