4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine

C16H26N4S — CID 63817228

IUPAC4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(Cc2cccs2)C(C)C)c1CC(C)N
InChIInChI=1S/C16H26N4S/c1-11(2)20(10-14-7-6-8-21-14)16-15(9-12(3)17)13(4)18-19(16)5/h6-8,11-12H,9-10,17H2,1-5H3
InChIKeyJMAMRHLEXWUHSH-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.09
Rot. Bonds6

About 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine

4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine (PubChem CID 63817228) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
PubChem CID63817228
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(Cc2cccs2)C(C)C)c1CC(C)N
InChIInChI=1S/C16H26N4S/c1-11(2)20(10-14-7-6-8-21-14)16-15(9-12(3)17)13(4)18-19(16)5/h6-8,11-12H,9-10,17H2,1-5H3
InChIKeyJMAMRHLEXWUHSH-UHFFFAOYSA-N
XLogP3.09
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine (CID 63817228) is 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine is Cc1nn(C)c(N(Cc2cccs2)C(C)C)c1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The InChIKey is JMAMRHLEXWUHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-11(2)20(10-14-7-6-8-21-14)16-15(9-12(3)17)13(4)18-19(16)5/h6-8,11-12H,9-10,17H2,1-5H3.
What are the key properties of 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine has a molecular weight of 306.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 63817228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).