N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine

C16H17N3S — CID 43485986

IUPACN-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)c1sccc1C
InChIInChI=1S/C16H17N3S/c1-12-8-9-20-16(12)15(17-2)13-10-18-19(11-13)14-6-4-3-5-7-14/h3-11,15,17H,1-2H3
InChIKeyJHLNFUCJWZEVJJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.55
Rot. Bonds4

About N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine

N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 43485986) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID43485986
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)c1sccc1C
InChIInChI=1S/C16H17N3S/c1-12-8-9-20-16(12)15(17-2)13-10-18-19(11-13)14-6-4-3-5-7-14/h3-11,15,17H,1-2H3
InChIKeyJHLNFUCJWZEVJJ-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486037
1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485984
1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 107960678
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021
4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole
CID 80641516
N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 43492518
N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332623
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
CID 82237954
N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105161286
1-(4-tert-butylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484390

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine (CID 43485986) is N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine is CNC(c1cnn(-c2ccccc2)c1)c1sccc1C.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is JHLNFUCJWZEVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12-8-9-20-16(12)15(17-2)13-10-18-19(11-13)14-6-4-3-5-7-14/h3-11,15,17H,1-2H3.
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43485986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).