[1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol

C11H16N4OS — CID 55013920

IUPAC[1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N(C)Cc2cscn2)c1CO
InChIInChI=1S/C11H16N4OS/c1-8-10(5-16)11(15(3)13-8)14(2)4-9-6-17-7-12-9/h6-7,16H,4-5H2,1-3H3
InChIKeyBWBYNIZVNWZKHT-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.31
Rot. Bonds4

About [1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol

[1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol (PubChem CID 55013920) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is [1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol
PubChem CID55013920
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name[1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N(C)Cc2cscn2)c1CO
InChIInChI=1S/C11H16N4OS/c1-8-10(5-16)11(15(3)13-8)14(2)4-9-6-17-7-12-9/h6-7,16H,4-5H2,1-3H3
InChIKeyBWBYNIZVNWZKHT-UHFFFAOYSA-N
XLogP1.31
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 53547192
2-[3,4-Dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol
CID 75437609
5-[[4-(Hydroxymethyl)-1,3-thiazol-2-yl]methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 172471954
[1,3-Dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol
CID 28963479
[3,5-Dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methanol
CID 43647436
N,1,3-trimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
CID 55012163
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
CID 55012211
[1,3-Dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazol-4-yl]methanol
CID 55261349
1,3-Dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazole-4-carboxylic acid
CID 61610901
4-(aminomethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
CID 61611166
N,1,3-trimethyl-4-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
CID 61611199
N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
CID 61611200

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol (CID 55013920) is [1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol is Cc1nn(C)c(N(C)Cc2cscn2)c1CO.
What is the InChIKey of [1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol?
The InChIKey is BWBYNIZVNWZKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-10(5-16)11(15(3)13-8)14(2)4-9-6-17-7-12-9/h6-7,16H,4-5H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol?
[1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol has a molecular weight of 252.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol is sourced from PubChem (CID 55013920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).