N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine

C15H25N5S — CID 63072635

IUPACN,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2cscn2)c1CNCC(C)C
InChIInChI=1S/C15H25N5S/c1-11(2)6-16-7-14-12(3)18-20(5)15(14)19(4)8-13-9-21-10-17-13/h9-11,16H,6-8H2,1-5H3
InChIKeyFDEHEKJYYXPJEY-UHFFFAOYSA-N
MW307.47 g/mol
LogP2.57
Rot. Bonds7

About N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine

N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine (PubChem CID 63072635) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
PubChem CID63072635
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC NameN,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2cscn2)c1CNCC(C)C
InChIInChI=1S/C15H25N5S/c1-11(2)6-16-7-14-12(3)18-20(5)15(14)19(4)8-13-9-21-10-17-13/h9-11,16H,6-8H2,1-5H3
InChIKeyFDEHEKJYYXPJEY-UHFFFAOYSA-N
XLogP2.57
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine (CID 63072635) is N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)Cc2cscn2)c1CNCC(C)C.
What is the InChIKey of N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The InChIKey is FDEHEKJYYXPJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-11(2)6-16-7-14-12(3)18-20(5)15(14)19(4)8-13-9-21-10-17-13/h9-11,16H,6-8H2,1-5H3.
What are the key properties of N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine has a molecular weight of 307.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 63072635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).