4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole

C7H10FN3 — CID 130626159

IUPAC4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole
SMILESFC1CN(Cc2cn[nH]c2)C1
InChIInChI=1S/C7H10FN3/c8-7-4-11(5-7)3-6-1-9-10-2-6/h1-2,7H,3-5H2,(H,9,10)
InChIKeyMRRTZMGCIPCLHX-UHFFFAOYSA-N
MW155.18 g/mol
LogP0.56
Rot. Bonds2

About 4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole

4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole (PubChem CID 130626159) has the molecular formula C7H10FN3 and a molecular weight of 155.18 g/mol. Its IUPAC name is 4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole
PubChem CID130626159
Molecular FormulaC7H10FN3
Molecular Weight155.18 g/mol
Exact Mass155.09
IUPAC Name4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole
SMILESFC1CN(Cc2cn[nH]c2)C1
InChIInChI=1S/C7H10FN3/c8-7-4-11(5-7)3-6-1-9-10-2-6/h1-2,7H,3-5H2,(H,9,10)
InChIKeyMRRTZMGCIPCLHX-UHFFFAOYSA-N
XLogP0.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl(1H-pyrazol-4-ylmethyl)amine dihydrochloride
CID 54593142
4-(difluoromethyl)-1H-pyrazole
CID 67635188
dimethyl[(1H-pyrazol-4-yl)methyl]amine dihydrochloride
CID 165943184
methyl((1H-pyrazol-4-yl)methyl)amine hydrochloride
CID 167716177
dimethyl[(1H-pyrazol-4-yl)methyl]amine
CID 22929641
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
4-(fluoromethyl)-1H-pyrazole
CID 67635481
2,2-Difluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 115407117
(1H-Pyrazol-4-ylmethylene)-(2,2,2-trifluoro-ethyl)-amine
CID 136341389
propane;4-(trifluoromethyl)-1H-pyrazole
CID 145003355
ethane;4-(trifluoromethyl)-1H-pyrazole
CID 145257576
2,2,2-trifluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 63086463

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole?
The IUPAC name of 4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole (CID 130626159) is 4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole.
What is the SMILES notation for 4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole?
The canonical SMILES for 4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole is FC1CN(Cc2cn[nH]c2)C1.
What is the InChIKey of 4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole?
The InChIKey is MRRTZMGCIPCLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3/c8-7-4-11(5-7)3-6-1-9-10-2-6/h1-2,7H,3-5H2,(H,9,10).
What are the key properties of 4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole?
4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole has a molecular weight of 155.18 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole is sourced from PubChem (CID 130626159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).