1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine

C14H24N4 — CID 63256578

IUPAC1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESCn1nccc1CN1CCCCC1C1CCCN1
InChIInChI=1S/C14H24N4/c1-17-12(7-9-16-17)11-18-10-3-2-6-14(18)13-5-4-8-15-13/h7,9,13-15H,2-6,8,10-11H2,1H3
InChIKeyDPCSJRNWTANUTK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.53
Rot. Bonds3

About 1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine

1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 63256578) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID63256578
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESCn1nccc1CN1CCCCC1C1CCCN1
InChIInChI=1S/C14H24N4/c1-17-12(7-9-16-17)11-18-10-3-2-6-14(18)13-5-4-8-15-13/h7,9,13-15H,2-6,8,10-11H2,1H3
InChIKeyDPCSJRNWTANUTK-UHFFFAOYSA-N
XLogP1.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine (CID 63256578) is 1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine is Cn1nccc1CN1CCCCC1C1CCCN1.
What is the InChIKey of 1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is DPCSJRNWTANUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17-12(7-9-16-17)11-18-10-3-2-6-14(18)13-5-4-8-15-13/h7,9,13-15H,2-6,8,10-11H2,1H3.
What are the key properties of 1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 248.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).