1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole

C13H23N3 — CID 155139116

IUPAC1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole
SMILESCc1nn(C)c(C)c1CN1CC(C(C)C)C1
InChIInChI=1S/C13H23N3/c1-9(2)12-6-16(7-12)8-13-10(3)14-15(5)11(13)4/h9,12H,6-8H2,1-5H3
InChIKeyQNCIRZGFUORIJE-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.12
Rot. Bonds3

About 1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole

1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole (PubChem CID 155139116) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole
PubChem CID155139116
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole
SMILESCc1nn(C)c(C)c1CN1CC(C(C)C)C1
InChIInChI=1S/C13H23N3/c1-9(2)12-6-16(7-12)8-13-10(3)14-15(5)11(13)4/h9,12H,6-8H2,1-5H3
InChIKeyQNCIRZGFUORIJE-UHFFFAOYSA-N
XLogP2.12
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 62404051
4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 103575106
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
(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-yl]methanamine
CID 19623264
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 79238263
[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
N-cyclopropyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 79238625
1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 66201337

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole?
The IUPAC name of 1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole (CID 155139116) is 1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole is Cc1nn(C)c(C)c1CN1CC(C(C)C)C1.
What is the InChIKey of 1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole?
The InChIKey is QNCIRZGFUORIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)12-6-16(7-12)8-13-10(3)14-15(5)11(13)4/h9,12H,6-8H2,1-5H3.
What are the key properties of 1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole?
1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole has a molecular weight of 221.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole is sourced from PubChem (CID 155139116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).