N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine

C16H17N3S — CID 61350621

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
SMILESCn1cc(CNCc2cc(-c3ccccc3)cs2)cn1
InChIInChI=1S/C16H17N3S/c1-19-11-13(9-18-19)8-17-10-16-7-15(12-20-16)14-5-3-2-4-6-14/h2-7,9,11-12,17H,8,10H2,1H3
InChIKeyRWPGLGPLROMVRB-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.44
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine

N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine (PubChem CID 61350621) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
PubChem CID61350621
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
SMILESCn1cc(CNCc2cc(-c3ccccc3)cs2)cn1
InChIInChI=1S/C16H17N3S/c1-19-11-13(9-18-19)8-17-10-16-7-15(12-20-16)14-5-3-2-4-6-14/h2-7,9,11-12,17H,8,10H2,1H3
InChIKeyRWPGLGPLROMVRB-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 103700656
1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 102834954
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61350413
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
1-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61035698
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine (CID 61350621) is N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine is Cn1cc(CNCc2cc(-c3ccccc3)cs2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine?
The InChIKey is RWPGLGPLROMVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-19-11-13(9-18-19)8-17-10-16-7-15(12-20-16)14-5-3-2-4-6-14/h2-7,9,11-12,17H,8,10H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine?
N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine is sourced from PubChem (CID 61350621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).