1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole

C18H25N3 — CID 104688365

IUPAC1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole
SMILESCC(C)CC1(Cc2ccc(-n3cccn3)cc2)CCCN1
InChIInChI=1S/C18H25N3/c1-15(2)13-18(9-3-10-19-18)14-16-5-7-17(8-6-16)21-12-4-11-20-21/h4-8,11-12,15,19H,3,9-10,13-14H2,1-2H3
InChIKeyWBDOJJZUWJVDQU-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds5

About 1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole

1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole (PubChem CID 104688365) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole
PubChem CID104688365
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole
SMILESCC(C)CC1(Cc2ccc(-n3cccn3)cc2)CCCN1
InChIInChI=1S/C18H25N3/c1-15(2)13-18(9-3-10-19-18)14-16-5-7-17(8-6-16)21-12-4-11-20-21/h4-8,11-12,15,19H,3,9-10,13-14H2,1-2H3
InChIKeyWBDOJJZUWJVDQU-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole?
The IUPAC name of 1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole (CID 104688365) is 1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole.
What is the SMILES notation for 1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole?
The canonical SMILES for 1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole is CC(C)CC1(Cc2ccc(-n3cccn3)cc2)CCCN1.
What is the InChIKey of 1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole?
The InChIKey is WBDOJJZUWJVDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-15(2)13-18(9-3-10-19-18)14-16-5-7-17(8-6-16)21-12-4-11-20-21/h4-8,11-12,15,19H,3,9-10,13-14H2,1-2H3.
What are the key properties of 1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole?
1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole has a molecular weight of 283.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole is sourced from PubChem (CID 104688365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).