2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C15H22N4S — CID 56781078

IUPAC2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCCCc1nc(CN2CCCC2Cn2cccn2)cs1
InChIInChI=1S/C15H22N4S/c1-2-5-15-17-13(12-20-15)10-18-8-3-6-14(18)11-19-9-4-7-16-19/h4,7,9,12,14H,2-3,5-6,8,10-11H2,1H3
InChIKeyQNNRULXJZGETFA-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.96
Rot. Bonds6

About 2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 56781078) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID56781078
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCCCc1nc(CN2CCCC2Cn2cccn2)cs1
InChIInChI=1S/C15H22N4S/c1-2-5-15-17-13(12-20-15)10-18-8-3-6-14(18)11-19-9-4-7-16-19/h4,7,9,12,14H,2-3,5-6,8,10-11H2,1H3
InChIKeyQNNRULXJZGETFA-UHFFFAOYSA-N
XLogP2.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Methylpyrazol-4-yl)-4-[(4-propylazepan-1-yl)methyl]-1,3-thiazole
CID 48941168
n-((2-Ethylthiazol-4-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 53522670
N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53559006
1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 53596188
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
CID 53602914
2-methyl-4-{2-oxo-2-[2-(1H-pyrazol-1-ylmethyl)-1-pyrrolidinyl]ethyl}-1,3-thiazole
CID 53603251
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 53603908
N,N-dimethyl-2-[4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53605575
2-(4-methylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53614923
4-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53626925
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779293
(2-Cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779317

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 56781078) is 2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is CCCc1nc(CN2CCCC2Cn2cccn2)cs1.
What is the InChIKey of 2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is QNNRULXJZGETFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-2-5-15-17-13(12-20-15)10-18-8-3-6-14(18)11-19-9-4-7-16-19/h4,7,9,12,14H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of 2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 290.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 56781078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).