N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C16H21F2N3 — CID 105409527

IUPACN-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)cnn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H21F2N3/c1-11-13(8-19-16(2,3)4)9-20-21(11)10-12-5-14(17)7-15(18)6-12/h5-7,9,19H,8,10H2,1-4H3
InChIKeySEOXWTQMWSFYIS-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.41
Rot. Bonds4

About N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 105409527) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID105409527
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC NameN-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)cnn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H21F2N3/c1-11-13(8-19-16(2,3)4)9-20-21(11)10-12-5-14(17)7-15(18)6-12/h5-7,9,19H,8,10H2,1-4H3
InChIKeySEOXWTQMWSFYIS-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050327
N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 105409596
2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine
CID 83169712
N-[[1-benzyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440086
[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278587
N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79149914
N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440670
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 54982266
N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441934
N-[[1-[(4-chloro-3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 107888009
N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440161
N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66440894

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 105409527) is N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1c(CNC(C)(C)C)cnn1Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is SEOXWTQMWSFYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-11-13(8-19-16(2,3)4)9-20-21(11)10-12-5-14(17)7-15(18)6-12/h5-7,9,19H,8,10H2,1-4H3.
What are the key properties of N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-difluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105409527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).