5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine

C12H15FN4O — CID 117038636

IUPAC5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine
SMILESCOc1ccc(F)cc1N(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C12H15FN4O/c1-17(7-9-6-12(14)16-15-9)10-5-8(13)3-4-11(10)18-2/h3-6H,7H2,1-2H3,(H3,14,15,16)
InChIKeyZRFIYTYGQAQGIO-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.78
Rot. Bonds4

About 5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine

5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine (PubChem CID 117038636) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine
PubChem CID117038636
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine
SMILESCOc1ccc(F)cc1N(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C12H15FN4O/c1-17(7-9-6-12(14)16-15-9)10-5-8(13)3-4-11(10)18-2/h3-6H,7H2,1-2H3,(H3,14,15,16)
InChIKeyZRFIYTYGQAQGIO-UHFFFAOYSA-N
XLogP1.78
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 1502256
Pyrazole-3,5-diamine, 4-(2-methoxyphenylazo)-
CID 535907
1-(2-ethoxyphenyl)-4-[(3-methyl-1H-pyrazol-5-yl)methyl]piperazine
CID 53193261
1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine
CID 18738375
1-(4-fluoro-2-propan-2-yloxyphenyl)-4-[[5-[(2-methylidenepiperidin-1-yl)methyl]-1H-pyrazol-3-yl]methyl]piperazine
CID 18738377
2-ethoxy-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43730176
2-(2-Methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 82089165
5-Methyl-2-[2-(trifluoromethoxy)phenyl]pyrazol-3-amine
CID 89933563
N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine
CID 90965470
N-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 91165635
3-{1-[4-(difluoromethoxy)phenyl]piperidin-4-yl}-1H-pyrazol-5-amine
CID 118020299
5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine
CID 118020588

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine (CID 117038636) is 5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine is COc1ccc(F)cc1N(C)Cc1cc(N)n[nH]1.
What is the InChIKey of 5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine?
The InChIKey is ZRFIYTYGQAQGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-17(7-9-6-12(14)16-15-9)10-5-8(13)3-4-11(10)18-2/h3-6H,7H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine?
5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine has a molecular weight of 250.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117038636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).