1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole

C13H23N3 — CID 82878266

IUPAC1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
SMILESCC(C)CC1(Cc2ccn(C)n2)CCCN1
InChIInChI=1S/C13H23N3/c1-11(2)9-13(6-4-7-14-13)10-12-5-8-16(3)15-12/h5,8,11,14H,4,6-7,9-10H2,1-3H3
InChIKeyCUQFHGYVGXPNLX-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds4

About 1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole

1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole (PubChem CID 82878266) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
PubChem CID82878266
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
SMILESCC(C)CC1(Cc2ccn(C)n2)CCCN1
InChIInChI=1S/C13H23N3/c1-11(2)9-13(6-4-7-14-13)10-12-5-8-16(3)15-12/h5,8,11,14H,4,6-7,9-10H2,1-3H3
InChIKeyCUQFHGYVGXPNLX-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 66467443
1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole
CID 79761396
1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
CID 82882511
1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole
CID 104688365
1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole
CID 66466531
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol
CID 115058920
2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 66467441
4-chloro-1,3-diethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 66466758
3,3-diethyl-1-[(1-methylpyrazol-3-yl)methyl]-1,4-diazepane
CID 82870894
2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 105411975

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The IUPAC name of 1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole (CID 82878266) is 1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole.
What is the SMILES notation for 1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The canonical SMILES for 1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole is CC(C)CC1(Cc2ccn(C)n2)CCCN1.
What is the InChIKey of 1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The InChIKey is CUQFHGYVGXPNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)9-13(6-4-7-14-13)10-12-5-8-16(3)15-12/h5,8,11,14H,4,6-7,9-10H2,1-3H3.
What are the key properties of 1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole has a molecular weight of 221.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole is sourced from PubChem (CID 82878266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).