N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine

C11H15F2N5 — CID 122167225

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine
SMILESCCn1nc(C)cc1NCc1ccnn1C(F)F
InChIInChI=1S/C11H15F2N5/c1-3-17-10(6-8(2)16-17)14-7-9-4-5-15-18(9)11(12)13/h4-6,11,14H,3,7H2,1-2H3
InChIKeyIYGWPHJOADQQEL-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.42
Rot. Bonds5

About N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine (PubChem CID 122167225) has the molecular formula C11H15F2N5 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine
PubChem CID122167225
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine
SMILESCCn1nc(C)cc1NCc1ccnn1C(F)F
InChIInChI=1S/C11H15F2N5/c1-3-17-10(6-8(2)16-17)14-7-9-4-5-15-18(9)11(12)13/h4-6,11,14H,3,7H2,1-2H3
InChIKeyIYGWPHJOADQQEL-UHFFFAOYSA-N
XLogP2.42
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine
CID 122167215
2-ethyl-N-(furan-2-ylmethyl)-5-methylpyrazol-3-amine
CID 122168955
2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride
CID 126967956
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126966257
3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol
CID 122168788
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine
CID 176568753
N-[(2-ethylpyrazol-3-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 114555991
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
CID 115777063
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 124932342
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine
CID 122168230
2-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]benzoic acid;hydrochloride
CID 126966228
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 122168299

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine (CID 122167225) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine is CCn1nc(C)cc1NCc1ccnn1C(F)F.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine?
The InChIKey is IYGWPHJOADQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5/c1-3-17-10(6-8(2)16-17)14-7-9-4-5-15-18(9)11(12)13/h4-6,11,14H,3,7H2,1-2H3.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine has a molecular weight of 255.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine is sourced from PubChem (CID 122167225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).