(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine

C19H25N5O — CID 94823192

IUPAC(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
SMILESCOc1c(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c(C)nn1C
InChIInChI=1S/C19H25N5O/c1-13(20-11-18-14(2)22-23(4)19(18)25-5)17-12-21-24(15(17)3)16-9-7-6-8-10-16/h6-10,12-13,20H,11H2,1-5H3/t13-/m0/s1
InChIKeyQCYZXNHAQOWENZ-ZDUSSCGKSA-N
MW339.44 g/mol
LogP3.08
Rot. Bonds6

About (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine

(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine (PubChem CID 94823192) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
PubChem CID94823192
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
SMILESCOc1c(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c(C)nn1C
InChIInChI=1S/C19H25N5O/c1-13(20-11-18-14(2)22-23(4)19(18)25-5)17-12-21-24(15(17)3)16-9-7-6-8-10-16/h6-10,12-13,20H,11H2,1-5H3/t13-/m0/s1
InChIKeyQCYZXNHAQOWENZ-ZDUSSCGKSA-N
XLogP3.08
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860855
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 25384796
(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860866
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 104860868
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 104860852
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 115600765
(1R)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 94813974
(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 42460983
(1S)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 42241816
1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 45214362
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine
CID 94816988

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine (CID 94823192) is (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine is COc1c(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c(C)nn1C.
What is the InChIKey of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is QCYZXNHAQOWENZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(20-11-18-14(2)22-23(4)19(18)25-5)17-12-21-24(15(17)3)16-9-7-6-8-10-16/h6-10,12-13,20H,11H2,1-5H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 339.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 94823192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).