(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine

C16H21ClFN3 — CID 81375350

IUPAC(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCCc1nn(CC)c(CN[C@H](C)c2ccccc2F)c1Cl
InChIInChI=1S/C16H21ClFN3/c1-4-14-16(17)15(21(5-2)20-14)10-19-11(3)12-8-6-7-9-13(12)18/h6-9,11,19H,4-5,10H2,1-3H3/t11-/m1/s1
InChIKeyBWAVYGXNSRCZSH-LLVKDONJSA-N
MW309.82 g/mol
LogP4.11
Rot. Bonds6

About (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine

(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 81375350) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID81375350
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC Name(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCCc1nn(CC)c(CN[C@H](C)c2ccccc2F)c1Cl
InChIInChI=1S/C16H21ClFN3/c1-4-14-16(17)15(21(5-2)20-14)10-19-11(3)12-8-6-7-9-13(12)18/h6-9,11,19H,4-5,10H2,1-3H3/t11-/m1/s1
InChIKeyBWAVYGXNSRCZSH-LLVKDONJSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81374357
(1R)-N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(2-bromophenyl)ethanamine
CID 81378060
(1R)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374430
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105001342
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82801684
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 113494675
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide
CID 106344866
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
CID 115778565

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine (CID 81375350) is (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine is CCc1nn(CC)c(CN[C@H](C)c2ccccc2F)c1Cl.
What is the InChIKey of (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is BWAVYGXNSRCZSH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21ClFN3/c1-4-14-16(17)15(21(5-2)20-14)10-19-11(3)12-8-6-7-9-13(12)18/h6-9,11,19H,4-5,10H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine?
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 309.82 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 81375350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).