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

C9H14FN3 — CID 130638284

IUPAC4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole
SMILESCC1(F)CCN(Cc2cn[nH]c2)C1
InChIInChI=1S/C9H14FN3/c1-9(10)2-3-13(7-9)6-8-4-11-12-5-8/h4-5H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyZAKAVXDKTVDDNA-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.34
Rot. Bonds2

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

4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole (PubChem CID 130638284) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole
PubChem CID130638284
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole
SMILESCC1(F)CCN(Cc2cn[nH]c2)C1
InChIInChI=1S/C9H14FN3/c1-9(10)2-3-13(7-9)6-8-4-11-12-5-8/h4-5H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyZAKAVXDKTVDDNA-UHFFFAOYSA-N
XLogP1.34
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl[(1H-pyrazol-4-yl)methyl]amine dihydrochloride
CID 165943184
methyl((1H-pyrazol-4-yl)methyl)amine hydrochloride
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CID 22929641
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
2,2-Difluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 115407117
1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine
CID 122575498
2,2,2-trifluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 63086463
1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 102869224
4-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole
CID 130626159
cis-(1R,2S)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
CID 130934159
cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
CID 130992265
2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 131222875

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole?
The IUPAC name of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole (CID 130638284) is 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole.
What is the SMILES notation for 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole?
The canonical SMILES for 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole is CC1(F)CCN(Cc2cn[nH]c2)C1.
What is the InChIKey of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole?
The InChIKey is ZAKAVXDKTVDDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-9(10)2-3-13(7-9)6-8-4-11-12-5-8/h4-5H,2-3,6-7H2,1H3,(H,11,12).
What are the key properties of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole?
4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole has a molecular weight of 183.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole is sourced from PubChem (CID 130638284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).