N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine

C11H16N4S — CID 79485381

IUPACN-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1nccs1
InChIInChI=1S/C11H16N4S/c1-8(2)13-6-9-7-15(3)14-10(9)11-12-4-5-16-11/h4-5,7-8,13H,6H2,1-3H3
InChIKeyNKYZYVHKXYDYCO-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.04
Rot. Bonds4

About N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine

N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 79485381) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID79485381
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1nccs1
InChIInChI=1S/C11H16N4S/c1-8(2)13-6-9-7-15(3)14-10(9)11-12-4-5-16-11/h4-5,7-8,13H,6H2,1-3H3
InChIKeyNKYZYVHKXYDYCO-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 79493289
N-[[3-(5-chlorothiophen-3-yl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 114083068
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485379
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79484639
N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485539
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55139434
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588641
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 83088560
N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine
CID 114076795
(1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399161
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610339

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine (CID 79485381) is N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(C)nc1-c1nccs1.
What is the InChIKey of N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is NKYZYVHKXYDYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(2)13-6-9-7-15(3)14-10(9)11-12-4-5-16-11/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine?
N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79485381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).