4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine

C12H19N3 — CID 176692560

IUPAC4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine
SMILESCN1CCC(c2ccnn2C2CC2)CC1
InChIInChI=1S/C12H19N3/c1-14-8-5-10(6-9-14)12-4-7-13-15(12)11-2-3-11/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKeyHNQFJMJTBYRFOU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.03
Rot. Bonds2

About 4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine

4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine (PubChem CID 176692560) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine
PubChem CID176692560
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine
SMILESCN1CCC(c2ccnn2C2CC2)CC1
InChIInChI=1S/C12H19N3/c1-14-8-5-10(6-9-14)12-4-7-13-15(12)11-2-3-11/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKeyHNQFJMJTBYRFOU-UHFFFAOYSA-N
XLogP2.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine?
The IUPAC name of 4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine (CID 176692560) is 4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine?
The canonical SMILES for 4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine is CN1CCC(c2ccnn2C2CC2)CC1.
What is the InChIKey of 4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine?
The InChIKey is HNQFJMJTBYRFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-14-8-5-10(6-9-14)12-4-7-13-15(12)11-2-3-11/h4,7,10-11H,2-3,5-6,8-9H2,1H3.
What are the key properties of 4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine?
4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine has a molecular weight of 205.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine is sourced from PubChem (CID 176692560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).