[3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine

C14H14FN5 — CID 170765723

IUPAC[3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine
SMILESCn1cc(-n2cc(-c3cc(F)cc(CN)c3)cn2)cn1
InChIInChI=1S/C14H14FN5/c1-19-9-14(7-17-19)20-8-12(6-18-20)11-2-10(5-16)3-13(15)4-11/h2-4,6-9H,5,16H2,1H3
InChIKeyRCDIZHNOBSSKEW-UHFFFAOYSA-N
MW271.30 g/mol
LogP1.87
Rot. Bonds3

About [3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine

[3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine (PubChem CID 170765723) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is [3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine
PubChem CID170765723
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name[3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine
SMILESCn1cc(-n2cc(-c3cc(F)cc(CN)c3)cn2)cn1
InChIInChI=1S/C14H14FN5/c1-19-9-14(7-17-19)20-8-12(6-18-20)11-2-10(5-16)3-13(15)4-11/h2-4,6-9H,5,16H2,1H3
InChIKeyRCDIZHNOBSSKEW-UHFFFAOYSA-N
XLogP1.87
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine
CID 139327240
[3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine
CID 102814406
[3-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanamine
CID 170765642
[3-[1-(4-bromo-2-methylsulfonylphenyl)pyrazol-4-yl]-5-fluorophenyl]methanamine
CID 170765757
[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 116792491
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
3-fluoro-5-(1-methylpyrazol-4-yl)phenol
CID 83130417
[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
CID 170995038
1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride
CID 163336294
[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine
CID 121209283
[3-fluoro-5-[1-(4-fluorophenyl)pyrazol-3-yl]phenyl]methanamine;hydrochloride
CID 170765690
(3-fluoro-5-pyrrolidin-1-ylphenyl)methanamine
CID 102813283

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine (CID 170765723) is [3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine is Cn1cc(-n2cc(-c3cc(F)cc(CN)c3)cn2)cn1.
What is the InChIKey of [3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine?
The InChIKey is RCDIZHNOBSSKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-19-9-14(7-17-19)20-8-12(6-18-20)11-2-10(5-16)3-13(15)4-11/h2-4,6-9H,5,16H2,1H3.
What are the key properties of [3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine?
[3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine has a molecular weight of 271.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 170765723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).