N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine

C15H24N4S — CID 95139826

IUPACN,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
SMILESCc1ccc([C@H](C)NCc2c(C)nn(C)c2N(C)C)s1
InChIInChI=1S/C15H24N4S/c1-10-7-8-14(20-10)12(3)16-9-13-11(2)17-19(6)15(13)18(4)5/h7-8,12,16H,9H2,1-6H3/t12-/m0/s1
InChIKeyKCTJSOPAOUFCLC-LBPRGKRZSA-N
MW292.45 g/mol
LogP3.02
Rot. Bonds5

About N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine

N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine (PubChem CID 95139826) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
PubChem CID95139826
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
SMILESCc1ccc([C@H](C)NCc2c(C)nn(C)c2N(C)C)s1
InChIInChI=1S/C15H24N4S/c1-10-7-8-14(20-10)12(3)16-9-13-11(2)17-19(6)15(13)18(4)5/h7-8,12,16H,9H2,1-6H3/t12-/m0/s1
InChIKeyKCTJSOPAOUFCLC-LBPRGKRZSA-N
XLogP3.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine (CID 95139826) is N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine is Cc1ccc([C@H](C)NCc2c(C)nn(C)c2N(C)C)s1.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine?
The InChIKey is KCTJSOPAOUFCLC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10-7-8-14(20-10)12(3)16-9-13-11(2)17-19(6)15(13)18(4)5/h7-8,12,16H,9H2,1-6H3/t12-/m0/s1.
What are the key properties of N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine has a molecular weight of 292.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine is sourced from PubChem (CID 95139826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).