N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine

C15H20FN3 — CID 122168375

IUPACN-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
SMILESCc1cc(NCc2cccc(F)c2)nn1CC(C)C
InChIInChI=1S/C15H20FN3/c1-11(2)10-19-12(3)7-15(18-19)17-9-13-5-4-6-14(16)8-13/h4-8,11H,9-10H2,1-3H3,(H,17,18)
InChIKeyHHCKTSXPQZGYOY-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.60
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine

N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine (PubChem CID 122168375) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
PubChem CID122168375
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
SMILESCc1cc(NCc2cccc(F)c2)nn1CC(C)C
InChIInChI=1S/C15H20FN3/c1-11(2)10-19-12(3)7-15(18-19)17-9-13-5-4-6-14(16)8-13/h4-8,11H,9-10H2,1-3H3,(H,17,18)
InChIKeyHHCKTSXPQZGYOY-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[5-methyl-1-(2-methylpropyl)pyrazol-3-yl]amino]methyl]phenol;hydrochloride
CID 126965295
N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 43428292
1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126964397
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126966938
2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
CID 71844344
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968207
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 19625975
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine (CID 122168375) is N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine is Cc1cc(NCc2cccc(F)c2)nn1CC(C)C.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
The InChIKey is HHCKTSXPQZGYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(2)10-19-12(3)7-15(18-19)17-9-13-5-4-6-14(16)8-13/h4-8,11H,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine has a molecular weight of 261.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine is sourced from PubChem (CID 122168375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).