3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine

C15H24N4S — CID 66028019

IUPAC3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(Cc1cccs1)C(C)C
InChIInChI=1S/C15H24N4S/c1-5-8-19-15(14(16)12(4)17-19)18(11(2)3)10-13-7-6-9-20-13/h6-7,9,11H,5,8,10,16H2,1-4H3
InChIKeyCOGCHGSCSHUYHF-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.66
Rot. Bonds6

About 3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine

3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine (PubChem CID 66028019) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine
PubChem CID66028019
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(Cc1cccs1)C(C)C
InChIInChI=1S/C15H24N4S/c1-5-8-19-15(14(16)12(4)17-19)18(11(2)3)10-13-7-6-9-20-13/h6-7,9,11H,5,8,10,16H2,1-4H3
InChIKeyCOGCHGSCSHUYHF-UHFFFAOYSA-N
XLogP3.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63817228
4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 107081607
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66029760
5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine
CID 66029003
N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073477
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331
4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 54946766
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66029205

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine (CID 66028019) is 3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(Cc1cccs1)C(C)C.
What is the InChIKey of 3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is COGCHGSCSHUYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-5-8-19-15(14(16)12(4)17-19)18(11(2)3)10-13-7-6-9-20-13/h6-7,9,11H,5,8,10,16H2,1-4H3.
What are the key properties of 3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine?
3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 292.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66028019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).