3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine

C19H24N4S — CID 150549406

IUPAC3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine
SMILESCn1nccc1-c1csc(NC(CN)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C19H24N4S/c1-19(2,15-7-5-4-6-8-15)17(12-20)22-18-11-14(13-24-18)16-9-10-21-23(16)3/h4-11,13,17,22H,12,20H2,1-3H3
InChIKeyIHOCHNYTGJKGFK-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.87
Rot. Bonds6

About 3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine

3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine (PubChem CID 150549406) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine
PubChem CID150549406
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine
SMILESCn1nccc1-c1csc(NC(CN)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C19H24N4S/c1-19(2,15-7-5-4-6-8-15)17(12-20)22-18-11-14(13-24-18)16-9-10-21-23(16)3/h4-11,13,17,22H,12,20H2,1-3H3
InChIKeyIHOCHNYTGJKGFK-UHFFFAOYSA-N
XLogP3.87
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 151155997
N-(1-amino-3-methyl-3-phenylbutan-2-yl)-4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24994688
N-(1-amino-4-phenylbutan-2-yl)-N-hydroxy-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 143734343
[2-[hydroxy-[4-(2-methylpyrazol-3-yl)thiophene-2-carbonyl]amino]-4,4-dimethyl-1-phenylpentan-3-yl]carbamic acid
CID 87687279
4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
CID 103010021
1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine
CID 53130925
tert-butyl-[2-[hydroxy-[4-(2-methylpyrazol-3-yl)thiophene-2-carbonyl]amino]-3-phenylpropyl]carbamic acid
CID 86633559
(2S)-3-(2-fluorophenyl)-2-N-[4-(2-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]propane-1,2-diamine
CID 150236387
[2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105216314
2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 103542631
(4-methyl-4-phenyl-1-thiophen-2-ylpentan-3-yl)hydrazine
CID 105216322
(3-methyl-1,3-diphenylbutan-2-yl)hydrazine
CID 105216261

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine (CID 150549406) is 3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine is Cn1nccc1-c1csc(NC(CN)C(C)(C)c2ccccc2)c1.
What is the InChIKey of 3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine?
The InChIKey is IHOCHNYTGJKGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-19(2,15-7-5-4-6-8-15)17(12-20)22-18-11-14(13-24-18)16-9-10-21-23(16)3/h4-11,13,17,22H,12,20H2,1-3H3.
What are the key properties of 3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine?
3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine has a molecular weight of 340.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]-3-phenylbutane-1,2-diamine is sourced from PubChem (CID 150549406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).