5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole

C11H17N3 — CID 110250157

IUPAC5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole
SMILESc1cc(C2CCCN2CC2CC2)[nH]n1
InChIInChI=1S/C11H17N3/c1-2-11(10-5-6-12-13-10)14(7-1)8-9-3-4-9/h5-6,9,11H,1-4,7-8H2,(H,12,13)
InChIKeyJFASALDUBROIDZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.96
Rot. Bonds3

About 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole

5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole (PubChem CID 110250157) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole
PubChem CID110250157
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole
SMILESc1cc(C2CCCN2CC2CC2)[nH]n1
InChIInChI=1S/C11H17N3/c1-2-11(10-5-6-12-13-10)14(7-1)8-9-3-4-9/h5-6,9,11H,1-4,7-8H2,(H,12,13)
InChIKeyJFASALDUBROIDZ-UHFFFAOYSA-N
XLogP1.96
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole?
The IUPAC name of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole (CID 110250157) is 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole is c1cc(C2CCCN2CC2CC2)[nH]n1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole?
The InChIKey is JFASALDUBROIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-11(10-5-6-12-13-10)14(7-1)8-9-3-4-9/h5-6,9,11H,1-4,7-8H2,(H,12,13).
What are the key properties of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole?
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole has a molecular weight of 191.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole is sourced from PubChem (CID 110250157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).