N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine

C15H19N3S — CID 55238701

IUPACN-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1Sc1cnn(C)c1
InChIInChI=1S/C15H19N3S/c1-11-7-12(8-16-13-4-5-13)3-6-15(11)19-14-9-17-18(2)10-14/h3,6-7,9-10,13,16H,4-5,8H2,1-2H3
InChIKeyZHJBCYACWGIWKC-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.13
Rot. Bonds5

About N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine

N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine (PubChem CID 55238701) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine
PubChem CID55238701
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1Sc1cnn(C)c1
InChIInChI=1S/C15H19N3S/c1-11-7-12(8-16-13-4-5-13)3-6-15(11)19-14-9-17-18(2)10-14/h3,6-7,9-10,13,16H,4-5,8H2,1-2H3
InChIKeyZHJBCYACWGIWKC-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
CID 63835210
N-[[3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 55240414
N-[[3-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 55240384
N-[[3-chloro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]propan-2-amine
CID 81159409
N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 55240024
N-[[3-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 55239421
N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63812839
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
N-[[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160769
N-[[3-bromo-4-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]cyclopropanamine
CID 102774105
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 81146399

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine (CID 55238701) is N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)ccc1Sc1cnn(C)c1.
What is the InChIKey of N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine?
The InChIKey is ZHJBCYACWGIWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11-7-12(8-16-13-4-5-13)3-6-15(11)19-14-9-17-18(2)10-14/h3,6-7,9-10,13,16H,4-5,8H2,1-2H3.
What are the key properties of N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine?
N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine has a molecular weight of 273.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 55238701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).