4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole

C15H26N4 — CID 142386256

IUPAC4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole
SMILESCc1cnn(C2CN(CC3CCN(C(C)C)C3)C2)c1
InChIInChI=1S/C15H26N4/c1-12(2)18-5-4-14(9-18)8-17-10-15(11-17)19-7-13(3)6-16-19/h6-7,12,14-15H,4-5,8-11H2,1-3H3
InChIKeyYASHDLKDHPTIKC-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.78
Rot. Bonds4

About 4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole

4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole (PubChem CID 142386256) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole
PubChem CID142386256
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole
SMILESCc1cnn(C2CN(CC3CCN(C(C)C)C3)C2)c1
InChIInChI=1S/C15H26N4/c1-12(2)18-5-4-14(9-18)8-17-10-15(11-17)19-7-13(3)6-16-19/h6-7,12,14-15H,4-5,8-11H2,1-3H3
InChIKeyYASHDLKDHPTIKC-UHFFFAOYSA-N
XLogP1.78
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
The IUPAC name of 4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole (CID 142386256) is 4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole.
What is the SMILES notation for 4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
The canonical SMILES for 4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole is Cc1cnn(C2CN(CC3CCN(C(C)C)C3)C2)c1.
What is the InChIKey of 4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
The InChIKey is YASHDLKDHPTIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)18-5-4-14(9-18)8-17-10-15(11-17)19-7-13(3)6-16-19/h6-7,12,14-15H,4-5,8-11H2,1-3H3.
What are the key properties of 4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole has a molecular weight of 262.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole is sourced from PubChem (CID 142386256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).