(1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine

C17H19N3S — CID 25338981

IUPAC(1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine
SMILESCc1ccc(-c2[nH]ncc2CN[C@H](C)c2cccs2)cc1
InChIInChI=1S/C17H19N3S/c1-12-5-7-14(8-6-12)17-15(11-19-20-17)10-18-13(2)16-4-3-9-21-16/h3-9,11,13,18H,10H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyUURGBOOCLVAOEB-CYBMUJFWSA-N
MW297.43 g/mol
LogP4.30
Rot. Bonds5

About (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine

(1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine (PubChem CID 25338981) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine
PubChem CID25338981
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name(1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine
SMILESCc1ccc(-c2[nH]ncc2CN[C@H](C)c2cccs2)cc1
InChIInChI=1S/C17H19N3S/c1-12-5-7-14(8-6-12)17-15(11-19-20-17)10-18-13(2)16-4-3-9-21-16/h3-9,11,13,18H,10H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyUURGBOOCLVAOEB-CYBMUJFWSA-N
XLogP4.30
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine with MolForge

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Related Compounds

1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233218
(1S)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398695
2-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233315
(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395317
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
N-[[5-(4-iodophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 114083286
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
(1R)-1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81368214
1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43766878
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484672

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine (CID 25338981) is (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine is Cc1ccc(-c2[nH]ncc2CN[C@H](C)c2cccs2)cc1.
What is the InChIKey of (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine?
The InChIKey is UURGBOOCLVAOEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12-5-7-14(8-6-12)17-15(11-19-20-17)10-18-13(2)16-4-3-9-21-16/h3-9,11,13,18H,10H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine?
(1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine has a molecular weight of 297.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 25338981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).