N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine

C16H23N3S — CID 80729604

IUPACN-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2cc(CNC3CC3)sc2C)c(C)c1C
InChIInChI=1S/C16H23N3S/c1-10-11(2)18-19(12(10)3)9-14-7-16(20-13(14)4)8-17-15-5-6-15/h7,15,17H,5-6,8-9H2,1-4H3
InChIKeyPPBQZTIRMOHHQL-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.48
Rot. Bonds5

About N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 80729604) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID80729604
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2cc(CNC3CC3)sc2C)c(C)c1C
InChIInChI=1S/C16H23N3S/c1-10-11(2)18-19(12(10)3)9-14-7-16(20-13(14)4)8-17-15-5-6-15/h7,15,17H,5-6,8-9H2,1-4H3
InChIKeyPPBQZTIRMOHHQL-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
CID 80729412
N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62443312
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80721377
1-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 80719747
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80728424
N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80727648
N-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80729108
N-[[4-(but-3-enoxymethyl)-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80729694
N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62447884
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446739
2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191711
N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719995

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 80729604) is N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine is Cc1nn(Cc2cc(CNC3CC3)sc2C)c(C)c1C.
What is the InChIKey of N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is PPBQZTIRMOHHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-10-11(2)18-19(12(10)3)9-14-7-16(20-13(14)4)8-17-15-5-6-15/h7,15,17H,5-6,8-9H2,1-4H3.
What are the key properties of N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 289.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80729604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).