N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C14H20N4S — CID 61433425

IUPACN-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCn1cc(C(CN)N(Cc2ccsc2)C2CC2)cn1
InChIInChI=1S/C14H20N4S/c1-17-9-12(7-16-17)14(6-15)18(13-2-3-13)8-11-4-5-19-10-11/h4-5,7,9-10,13-14H,2-3,6,8,15H2,1H3
InChIKeyYFCFKALIILYULA-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.15
Rot. Bonds6

About N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 61433425) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID61433425
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCn1cc(C(CN)N(Cc2ccsc2)C2CC2)cn1
InChIInChI=1S/C14H20N4S/c1-17-9-12(7-16-17)14(6-15)18(13-2-3-13)8-11-4-5-19-10-11/h4-5,7,9-10,13-14H,2-3,6,8,15H2,1H3
InChIKeyYFCFKALIILYULA-UHFFFAOYSA-N
XLogP2.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433474
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433942
N-cyclopropyl-1-(3,5-difluorophenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 106528560
N-cyclopropyl-1-(5-methylfuran-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433709
1-(3-bromo-4-fluorophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433901
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433657
N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199868
2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 61433947
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300
4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide
CID 66426893
N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43126047

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 61433425) is N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is Cn1cc(C(CN)N(Cc2ccsc2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is YFCFKALIILYULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-17-9-12(7-16-17)14(6-15)18(13-2-3-13)8-11-4-5-19-10-11/h4-5,7,9-10,13-14H,2-3,6,8,15H2,1H3.
What are the key properties of N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 276.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61433425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).