N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine

C14H17F2N3 — CID 122168310

IUPACN-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C14H17F2N3/c1-9(2)19-8-14(10(3)18-19)17-7-11-4-12(15)6-13(16)5-11/h4-6,8-9,17H,7H2,1-3H3
InChIKeyMFHVGFVLIJVGSX-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.66
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine

N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 122168310) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID122168310
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C14H17F2N3/c1-9(2)19-8-14(10(3)18-19)17-7-11-4-12(15)6-13(16)5-11/h4-6,8-9,17H,7H2,1-3H3
InChIKeyMFHVGFVLIJVGSX-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
MK-1925
CID 44178080
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-benzyl-1H-pyrazol-4-amine
CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 122168310) is N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)cc1NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is MFHVGFVLIJVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-9(2)19-8-14(10(3)18-19)17-7-11-4-12(15)6-13(16)5-11/h4-6,8-9,17H,7H2,1-3H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 122168310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).