4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole

C9H15N3 — CID 130652971

IUPAC4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1CN1CCC1
InChIInChI=1S/C9H15N3/c1-8-9(6-11(2)10-8)7-12-4-3-5-12/h6H,3-5,7H2,1-2H3
InChIKeyARHXOMRRUBSFMW-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.93
Rot. Bonds2

About 4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole

4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole (PubChem CID 130652971) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
PubChem CID130652971
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1CN1CCC1
InChIInChI=1S/C9H15N3/c1-8-9(6-11(2)10-8)7-12-4-3-5-12/h6H,3-5,7H2,1-2H3
InChIKeyARHXOMRRUBSFMW-UHFFFAOYSA-N
XLogP0.93
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70729768
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 83094609
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791
[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine
CID 19627282
(3S)-3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-azabicyclo[2.2.2]octane
CID 99927899
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208278
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole (CID 130652971) is 4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole is Cc1nn(C)cc1CN1CCC1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole?
The InChIKey is ARHXOMRRUBSFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-9(6-11(2)10-8)7-12-4-3-5-12/h6H,3-5,7H2,1-2H3.
What are the key properties of 4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole?
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole has a molecular weight of 165.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 130652971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).