1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

C15H20N4OS — CID 56779447

IUPAC1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
SMILESCc1cnn(CC2CCCN2C(=O)CCc2cscn2)c1
InChIInChI=1S/C15H20N4OS/c1-12-7-17-18(8-12)9-14-3-2-6-19(14)15(20)5-4-13-10-21-11-16-13/h7-8,10-11,14H,2-6,9H2,1H3
InChIKeyLPPKKRHEZYJHOQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.27
Rot. Bonds5

About 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 56779447) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
PubChem CID56779447
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
SMILESCc1cnn(CC2CCCN2C(=O)CCc2cscn2)c1
InChIInChI=1S/C15H20N4OS/c1-12-7-17-18(8-12)9-14-3-2-6-19(14)15(20)5-4-13-10-21-11-16-13/h7-8,10-11,14H,2-6,9H2,1H3
InChIKeyLPPKKRHEZYJHOQ-UHFFFAOYSA-N
XLogP2.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 53564860
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 53575956
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-methyl-N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53612720
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 53623882
(2-Cyclopropyl-1,3-thiazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 53624970
[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 53625761
2-(2-Methyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778842
1-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779012
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779293

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one (CID 56779447) is 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one is Cc1cnn(CC2CCCN2C(=O)CCc2cscn2)c1.
What is the InChIKey of 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
The InChIKey is LPPKKRHEZYJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-12-7-17-18(8-12)9-14-3-2-6-19(14)15(20)5-4-13-10-21-11-16-13/h7-8,10-11,14H,2-6,9H2,1H3.
What are the key properties of 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?
1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 304.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 56779447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).