1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine

C16H17N3S — CID 60931899

IUPAC1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
SMILESCc1ccsc1CNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H17N3S/c1-13-7-8-20-16(13)10-17-15-9-18-19(12-15)11-14-5-3-2-4-6-14/h2-9,12,17H,10-11H2,1H3
InChIKeyDXJPWAUDVZMMJC-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.91
Rot. Bonds5

About 1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine

1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine (PubChem CID 60931899) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
PubChem CID60931899
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
SMILESCc1ccsc1CNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H17N3S/c1-13-7-8-20-16(13)10-17-15-9-18-19(12-15)11-14-5-3-2-4-6-14/h2-9,12,17H,10-11H2,1H3
InChIKeyDXJPWAUDVZMMJC-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
CID 62999432
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
1-benzyl-N-[(5-ethylfuran-2-yl)methyl]pyrazol-4-amine
CID 62345818
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 81412350
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine
CID 130645912

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine (CID 60931899) is 1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine is Cc1ccsc1CNc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine?
The InChIKey is DXJPWAUDVZMMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-13-7-8-20-16(13)10-17-15-9-18-19(12-15)11-14-5-3-2-4-6-14/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine?
1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine has a molecular weight of 283.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 60931899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).