N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine

C11H20FN3 — CID 80693701

IUPACN-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(CCF)c(C)c1CNC(C)C
InChIInChI=1S/C11H20FN3/c1-8(2)13-7-11-9(3)14-15(6-5-12)10(11)4/h8,13H,5-7H2,1-4H3
InChIKeyCOBSSYZGNJCZTP-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.97
Rot. Bonds5

About N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine

N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 80693701) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID80693701
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC NameN-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(CCF)c(C)c1CNC(C)C
InChIInChI=1S/C11H20FN3/c1-8(2)13-7-11-9(3)14-15(6-5-12)10(11)4/h8,13H,5-7H2,1-4H3
InChIKeyCOBSSYZGNJCZTP-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
N-[[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 60925347
2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905540
2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
CID 61490053
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
CID 115696021
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43647958
N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 43648009
N-[[1-(3-fluoropropyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 81113432
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 114851493
N-[[3,5-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 102877955
N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 43648011
2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110906220

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 80693701) is N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine is Cc1nn(CCF)c(C)c1CNC(C)C.
What is the InChIKey of N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is COBSSYZGNJCZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-8(2)13-7-11-9(3)14-15(6-5-12)10(11)4/h8,13H,5-7H2,1-4H3.
What are the key properties of N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 213.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 80693701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).