1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole

C17H23N3 — CID 143821636

IUPAC1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole
SMILESCC(C)Cn1cc(-c2ccccc2C2CCNC2)cn1
InChIInChI=1S/C17H23N3/c1-13(2)11-20-12-15(10-19-20)17-6-4-3-5-16(17)14-7-8-18-9-14/h3-6,10,12-14,18H,7-9,11H2,1-2H3
InChIKeyDPSZGYIWRCKCBX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole

1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole (PubChem CID 143821636) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole
PubChem CID143821636
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole
SMILESCC(C)Cn1cc(-c2ccccc2C2CCNC2)cn1
InChIInChI=1S/C17H23N3/c1-13(2)11-20-12-15(10-19-20)17-6-4-3-5-16(17)14-7-8-18-9-14/h3-6,10,12-14,18H,7-9,11H2,1-2H3
InChIKeyDPSZGYIWRCKCBX-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole?
The IUPAC name of 1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole (CID 143821636) is 1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole.
What is the SMILES notation for 1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole?
The canonical SMILES for 1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole is CC(C)Cn1cc(-c2ccccc2C2CCNC2)cn1.
What is the InChIKey of 1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole?
The InChIKey is DPSZGYIWRCKCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)11-20-12-15(10-19-20)17-6-4-3-5-16(17)14-7-8-18-9-14/h3-6,10,12-14,18H,7-9,11H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole?
1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole has a molecular weight of 269.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole is sourced from PubChem (CID 143821636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).