4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C12H22N4 — CID 103575106

IUPAC4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nn(C)c(C)c1CN1CC(C)C(N)C1
InChIInChI=1S/C12H22N4/c1-8-5-16(7-12(8)13)6-11-9(2)14-15(4)10(11)3/h8,12H,5-7,13H2,1-4H3
InChIKeyARLCNKLEZLEILW-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.82
Rot. Bonds2

About 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 103575106) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID103575106
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nn(C)c(C)c1CN1CC(C)C(N)C1
InChIInChI=1S/C12H22N4/c1-8-5-16(7-12(8)13)6-11-9(2)14-15(4)10(11)3/h8,12H,5-7,13H2,1-4H3
InChIKeyARLCNKLEZLEILW-UHFFFAOYSA-N
XLogP0.82
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909336
1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909833
1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole
CID 155139116
5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 62404051
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909143
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909142
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264
(3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 70755438
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393446

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 103575106) is 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is Cc1nn(C)c(C)c1CN1CC(C)C(N)C1.
What is the InChIKey of 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is ARLCNKLEZLEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8-5-16(7-12(8)13)6-11-9(2)14-15(4)10(11)3/h8,12H,5-7,13H2,1-4H3.
What are the key properties of 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 103575106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).