N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine

C13H15F2N3 — CID 122168522

IUPACN-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine
SMILESCCn1ncc(NCc2cc(F)ccc2F)c1C
InChIInChI=1S/C13H15F2N3/c1-3-18-9(2)13(8-17-18)16-7-10-6-11(14)4-5-12(10)15/h4-6,8,16H,3,7H2,1-2H3
InChIKeyCEOBCKKPJNUKHM-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.10
Rot. Bonds4

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

N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine (PubChem CID 122168522) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine
PubChem CID122168522
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine
SMILESCCn1ncc(NCc2cc(F)ccc2F)c1C
InChIInChI=1S/C13H15F2N3/c1-3-18-9(2)13(8-17-18)16-7-10-6-11(14)4-5-12(10)15/h4-6,8,16H,3,7H2,1-2H3
InChIKeyCEOBCKKPJNUKHM-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-[(2,5-difluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114438013
4-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168604
4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
CID 115613225
1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
CID 122167136
N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122168316
N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride
CID 126964810
N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline
CID 43716958
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 1225270
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784
1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
CID 122168358
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine (CID 122168522) is N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine is CCn1ncc(NCc2cc(F)ccc2F)c1C.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine?
The InChIKey is CEOBCKKPJNUKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-3-18-9(2)13(8-17-18)16-7-10-6-11(14)4-5-12(10)15/h4-6,8,16H,3,7H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine?
N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine has a molecular weight of 251.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine is sourced from PubChem (CID 122168522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).