5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole

C17H21N3 — CID 117422199

IUPAC5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
SMILESc1cc(CC2CCCN2)cc(-n2nccc2C2CC2)c1
InChIInChI=1S/C17H21N3/c1-3-13(11-15-4-2-9-18-15)12-16(5-1)20-17(8-10-19-20)14-6-7-14/h1,3,5,8,10,12,14-15,18H,2,4,6-7,9,11H2
InChIKeyAXJCPASHAWSAMD-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.04
Rot. Bonds4

About 5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole

5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole (PubChem CID 117422199) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
PubChem CID117422199
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
SMILESc1cc(CC2CCCN2)cc(-n2nccc2C2CC2)c1
InChIInChI=1S/C17H21N3/c1-3-13(11-15-4-2-9-18-15)12-16(5-1)20-17(8-10-19-20)14-6-7-14/h1,3,5,8,10,12,14-15,18H,2,4,6-7,9,11H2
InChIKeyAXJCPASHAWSAMD-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine
CID 84691343
1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one
CID 117353584
2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole
CID 117355719
4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole
CID 117358210
3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117457932
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117365583
5-cyclopropyl-1-phenylpyrazole
CID 67206706
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one
CID 117431510
1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine
CID 116988811

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole?
The IUPAC name of 5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole (CID 117422199) is 5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole.
What is the SMILES notation for 5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole?
The canonical SMILES for 5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole is c1cc(CC2CCCN2)cc(-n2nccc2C2CC2)c1.
What is the InChIKey of 5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole?
The InChIKey is AXJCPASHAWSAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-13(11-15-4-2-9-18-15)12-16(5-1)20-17(8-10-19-20)14-6-7-14/h1,3,5,8,10,12,14-15,18H,2,4,6-7,9,11H2.
What are the key properties of 5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole?
5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole has a molecular weight of 267.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole is sourced from PubChem (CID 117422199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).