N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine

C17H20FN5 — CID 19627702

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine
SMILESCCn1cc(CNCc2cc(-c3ccc(F)cc3)n[nH]2)c(C)n1
InChIInChI=1S/C17H20FN5/c1-3-23-11-14(12(2)22-23)9-19-10-16-8-17(21-20-16)13-4-6-15(18)7-5-13/h4-8,11,19H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyAFBDQLSVHCHUJP-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.03
Rot. Bonds6

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 19627702) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID19627702
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine
SMILESCCn1cc(CNCc2cc(-c3ccc(F)cc3)n[nH]2)c(C)n1
InChIInChI=1S/C17H20FN5/c1-3-23-11-14(12(2)22-23)9-19-10-16-8-17(21-20-16)13-4-6-15(18)7-5-13/h4-8,11,19H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyAFBDQLSVHCHUJP-UHFFFAOYSA-N
XLogP3.03
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)aniline
CID 22493258
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
(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
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine (CID 19627702) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine is CCn1cc(CNCc2cc(-c3ccc(F)cc3)n[nH]2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is AFBDQLSVHCHUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c1-3-23-11-14(12(2)22-23)9-19-10-16-8-17(21-20-16)13-4-6-15(18)7-5-13/h4-8,11,19H,3,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 313.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 19627702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).