N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine

C14H17F2N3 — CID 107462384

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H17F2N3/c1-3-12-13(9-19(2)18-12)17-8-10-4-6-11(7-5-10)14(15)16/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyBEFXSJRJDMKDPY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.53
Rot. Bonds5

About N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine

N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 107462384) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine
PubChem CID107462384
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H17F2N3/c1-3-12-13(9-19(2)18-12)17-8-10-4-6-11(7-5-10)14(15)16/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyBEFXSJRJDMKDPY-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909085
3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
3-ethyl-1-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
CID 115898042
2-ethoxy-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]phenol
CID 107462470
N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909034
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 103909192
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile
CID 107462739
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 103909181

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine (CID 107462384) is N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NCc1ccc(C(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is BEFXSJRJDMKDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-12-13(9-19(2)18-12)17-8-10-4-6-11(7-5-10)14(15)16/h4-7,9,14,17H,3,8H2,1-2H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine?
N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 107462384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).