N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine

C16H15FN4 — CID 82538513

IUPACN-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NC(c2ccncc2)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H15FN4/c1-21-11-15(10-19-21)20-16(13-6-8-18-9-7-13)12-2-4-14(17)5-3-12/h2-11,16,20H,1H3
InChIKeyHSWFRNIOWBKCHM-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.16
Rot. Bonds4

About N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine

N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine (PubChem CID 82538513) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine
PubChem CID82538513
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC NameN-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NC(c2ccncc2)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H15FN4/c1-21-11-15(10-19-21)20-16(13-6-8-18-9-7-13)12-2-4-14(17)5-3-12/h2-11,16,20H,1H3
InChIKeyHSWFRNIOWBKCHM-UHFFFAOYSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine
CID 43776718
1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110452390
3-fluoro-5-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]benzoic acid
CID 110452398
4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
CID 43534964
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
CID 155858284
1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine
CID 163486860
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide
CID 124620906
3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
CID 43608159
N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 124618010
N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 75507032
1-(4-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43225777

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine (CID 82538513) is N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine is Cn1cc(NC(c2ccncc2)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine?
The InChIKey is HSWFRNIOWBKCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-21-11-15(10-19-21)20-16(13-6-8-18-9-7-13)12-2-4-14(17)5-3-12/h2-11,16,20H,1H3.
What are the key properties of N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine?
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine has a molecular weight of 282.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 82538513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).