N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine

C15H24N4S — CID 43527755

IUPACN,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2cccs2)c1CNC(C)C
InChIInChI=1S/C15H24N4S/c1-11(2)16-9-14-12(3)17-19(5)15(14)18(4)10-13-7-6-8-20-13/h6-8,11,16H,9-10H2,1-5H3
InChIKeyILOVEDGHGZWYCF-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.92
Rot. Bonds6

About N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine

N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine (PubChem CID 43527755) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine
PubChem CID43527755
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2cccs2)c1CNC(C)C
InChIInChI=1S/C15H24N4S/c1-11(2)16-9-14-12(3)17-19(5)15(14)18(4)10-13-7-6-8-20-13/h6-8,11,16H,9-10H2,1-5H3
InChIKeyILOVEDGHGZWYCF-UHFFFAOYSA-N
XLogP2.92
TPSA33.09 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine (CID 43527755) is N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)Cc2cccs2)c1CNC(C)C.
What is the InChIKey of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The InChIKey is ILOVEDGHGZWYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-11(2)16-9-14-12(3)17-19(5)15(14)18(4)10-13-7-6-8-20-13/h6-8,11,16H,9-10H2,1-5H3.
What are the key properties of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine has a molecular weight of 292.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 43527755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).