4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole

C9H15N3 — CID 67531125

IUPAC4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole
SMILESCC1CCCN1Cc1cn[nH]c1
InChIInChI=1S/C9H15N3/c1-8-3-2-4-12(8)7-9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11)
InChIKeyNJYAOMSMWXLLOO-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.39
Rot. Bonds2

About 4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole

4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole (PubChem CID 67531125) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole
PubChem CID67531125
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole
SMILESCC1CCCN1Cc1cn[nH]c1
InChIInChI=1S/C9H15N3/c1-8-3-2-4-12(8)7-9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11)
InChIKeyNJYAOMSMWXLLOO-UHFFFAOYSA-N
XLogP1.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole?
The IUPAC name of 4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole (CID 67531125) is 4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole.
What is the SMILES notation for 4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole?
The canonical SMILES for 4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole is CC1CCCN1Cc1cn[nH]c1.
What is the InChIKey of 4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole?
The InChIKey is NJYAOMSMWXLLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-3-2-4-12(8)7-9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11).
What are the key properties of 4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole?
4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole has a molecular weight of 165.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrrolidin-1-yl)methyl]-1H-pyrazole is sourced from PubChem (CID 67531125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).