5-(pyrrolidin-1-ylmethyl)-1H-pyrazole

C8H13N3 — CID 54541161

IUPAC5-(pyrrolidin-1-ylmethyl)-1H-pyrazole
SMILESc1cc(CN2CCCC2)[nH]n1
InChIInChI=1S/C8H13N3/c1-2-6-11(5-1)7-8-3-4-9-10-8/h3-4H,1-2,5-7H2,(H,9,10)
InChIKeyZDHBYBLSTBBGSF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.01
Rot. Bonds2

About 5-(pyrrolidin-1-ylmethyl)-1H-pyrazole

5-(pyrrolidin-1-ylmethyl)-1H-pyrazole (PubChem CID 54541161) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-(pyrrolidin-1-ylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(pyrrolidin-1-ylmethyl)-1H-pyrazole
PubChem CID54541161
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-(pyrrolidin-1-ylmethyl)-1H-pyrazole
SMILESc1cc(CN2CCCC2)[nH]n1
InChIInChI=1S/C8H13N3/c1-2-6-11(5-1)7-8-3-4-9-10-8/h3-4H,1-2,5-7H2,(H,9,10)
InChIKeyZDHBYBLSTBBGSF-UHFFFAOYSA-N
XLogP1.01
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1H-pyrazole
CID 14009816
3-(pyrrolidin-2-yl)-1H-pyrazole
CID 23282562
5-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 18343529
methyl((1H-pyrazol-3-yl)methyl)amine
CID 19614724
1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893202
5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
1-(1H-Pyrazol-5-yl)methanamine
CID 7147653
methyl[(1H-pyrazol-3-yl)methyl]amine hydrochloride
CID 138987600
1,4,7-Tris(pyrazol-3-ylmethyl)-1,4,7-triazacyclononane
CID 22999756
bis[(1H-pyrazol-5-yl)methyl]amine
CID 61285482
1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 53506010
3-pyrazol-1-yl-N-(1H-pyrazol-5-ylmethyl)butan-2-amine
CID 53557312

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-1-ylmethyl)-1H-pyrazole?
The IUPAC name of 5-(pyrrolidin-1-ylmethyl)-1H-pyrazole (CID 54541161) is 5-(pyrrolidin-1-ylmethyl)-1H-pyrazole.
What is the SMILES notation for 5-(pyrrolidin-1-ylmethyl)-1H-pyrazole?
The canonical SMILES for 5-(pyrrolidin-1-ylmethyl)-1H-pyrazole is c1cc(CN2CCCC2)[nH]n1.
What is the InChIKey of 5-(pyrrolidin-1-ylmethyl)-1H-pyrazole?
The InChIKey is ZDHBYBLSTBBGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-6-11(5-1)7-8-3-4-9-10-8/h3-4H,1-2,5-7H2,(H,9,10).
What are the key properties of 5-(pyrrolidin-1-ylmethyl)-1H-pyrazole?
5-(pyrrolidin-1-ylmethyl)-1H-pyrazole has a molecular weight of 151.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-1-ylmethyl)-1H-pyrazole is sourced from PubChem (CID 54541161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).