(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine

C23H23N5O — CID 42460983

IUPAC(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
SMILESCc1c([C@H](C)NCc2ccc(Oc3ncccn3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C23H23N5O/c1-17(22-16-27-28(18(22)2)20-7-4-3-5-8-20)26-15-19-9-11-21(12-10-19)29-23-24-13-6-14-25-23/h3-14,16-17,26H,15H2,1-2H3/t17-/m0/s1
InChIKeyFZBAERPJQHENJM-KRWDZBQOSA-N
MW385.47 g/mol
LogP4.61
Rot. Bonds7

About (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine

(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine (PubChem CID 42460983) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
PubChem CID42460983
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
SMILESCc1c([C@H](C)NCc2ccc(Oc3ncccn3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C23H23N5O/c1-17(22-16-27-28(18(22)2)20-7-4-3-5-8-20)26-15-19-9-11-21(12-10-19)29-23-24-13-6-14-25-23/h3-14,16-17,26H,15H2,1-2H3/t17-/m0/s1
InChIKeyFZBAERPJQHENJM-KRWDZBQOSA-N
XLogP4.61
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 25384796
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45219984
(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine
CID 42592797
1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]ethanamine
CID 45219969
N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 45215958
(1S)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 42241816
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
CID 94962216
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 94962214
N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide
CID 42392061
1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 45214362
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 25296947

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine (CID 42460983) is (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine is Cc1c([C@H](C)NCc2ccc(Oc3ncccn3)cc2)cnn1-c1ccccc1.
What is the InChIKey of (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is FZBAERPJQHENJM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23N5O/c1-17(22-16-27-28(18(22)2)20-7-4-3-5-8-20)26-15-19-9-11-21(12-10-19)29-23-24-13-6-14-25-23/h3-14,16-17,26H,15H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine?
(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 385.47 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 42460983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).