(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine

C18H19FN4 — CID 94962216

IUPAC(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1c([C@H](C)NCc2ccncc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4/c1-13(21-11-15-7-9-20-10-8-15)18-12-22-23(14(18)2)17-5-3-16(19)4-6-17/h3-10,12-13,21H,11H2,1-2H3/t13-/m0/s1
InChIKeyKSGHIKKHDKOFBP-ZDUSSCGKSA-N
MW310.38 g/mol
LogP3.57
Rot. Bonds5

About (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine

(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 94962216) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID94962216
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1c([C@H](C)NCc2ccncc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4/c1-13(21-11-15-7-9-20-10-8-15)18-12-22-23(14(18)2)17-5-3-16(19)4-6-17/h3-10,12-13,21H,11H2,1-2H3/t13-/m0/s1
InChIKeyKSGHIKKHDKOFBP-ZDUSSCGKSA-N
XLogP3.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 94962214
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 95191019
(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 25384796
(1S)-N-[[1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-4-yl]methyl]-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 96540901
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25364114
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 45226568
2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 75444197
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45219984
(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 42460983
1-[3-[[[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]phenyl]ethanone
CID 25481660

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine (CID 94962216) is (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine is Cc1c([C@H](C)NCc2ccncc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is KSGHIKKHDKOFBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN4/c1-13(21-11-15-7-9-20-10-8-15)18-12-22-23(14(18)2)17-5-3-16(19)4-6-17/h3-10,12-13,21H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine?
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 310.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 94962216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).