N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine

C16H22N4S — CID 102926098

IUPACN-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(C)nc(Sc2c(CNC3CC3)c(C)nn2C)c1
InChIInChI=1S/C16H22N4S/c1-10-7-11(2)18-15(8-10)21-16-14(9-17-13-5-6-13)12(3)19-20(16)4/h7-8,13,17H,5-6,9H2,1-4H3
InChIKeyCFJPKQYRHDORAC-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.14
Rot. Bonds5

About N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine

N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 102926098) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID102926098
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(C)nc(Sc2c(CNC3CC3)c(C)nn2C)c1
InChIInChI=1S/C16H22N4S/c1-10-7-11(2)18-15(8-10)21-16-14(9-17-13-5-6-13)12(3)19-20(16)4/h7-8,13,17H,5-6,9H2,1-4H3
InChIKeyCFJPKQYRHDORAC-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine (CID 102926098) is N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine is Cc1cc(C)nc(Sc2c(CNC3CC3)c(C)nn2C)c1.
What is the InChIKey of N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CFJPKQYRHDORAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-10-7-11(2)18-15(8-10)21-16-14(9-17-13-5-6-13)12(3)19-20(16)4/h7-8,13,17H,5-6,9H2,1-4H3.
What are the key properties of N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 302.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102926098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).