N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine

C16H18N4S — CID 56822816

IUPACN-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine
SMILESCc1ccsc1CN(C)Cn1nccc1-c1cccnc1
InChIInChI=1S/C16H18N4S/c1-13-6-9-21-16(13)11-19(2)12-20-15(5-8-18-20)14-4-3-7-17-10-14/h3-10H,11-12H2,1-2H3
InChIKeyPWVBCDXBTARUEV-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine

N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine (PubChem CID 56822816) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine
PubChem CID56822816
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine
SMILESCc1ccsc1CN(C)Cn1nccc1-c1cccnc1
InChIInChI=1S/C16H18N4S/c1-13-6-9-21-16(13)11-19(2)12-20-15(5-8-18-20)14-4-3-7-17-10-14/h3-10H,11-12H2,1-2H3
InChIKeyPWVBCDXBTARUEV-UHFFFAOYSA-N
XLogP3.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine (CID 56822816) is N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine is Cc1ccsc1CN(C)Cn1nccc1-c1cccnc1.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine?
The InChIKey is PWVBCDXBTARUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-13-6-9-21-16(13)11-19(2)12-20-15(5-8-18-20)14-4-3-7-17-10-14/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine?
N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine has a molecular weight of 298.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine is sourced from PubChem (CID 56822816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).