4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C12H16N4S — CID 118741509

IUPAC4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCn1cc(C2CCCN2Cc2cscn2)cn1
InChIInChI=1S/C12H16N4S/c1-15-6-10(5-14-15)12-3-2-4-16(12)7-11-8-17-9-13-11/h5-6,8-9,12H,2-4,7H2,1H3
InChIKeyBHMVRDZJBUXXHB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.21
Rot. Bonds3

About 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 118741509) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID118741509
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCn1cc(C2CCCN2Cc2cscn2)cn1
InChIInChI=1S/C12H16N4S/c1-15-6-10(5-14-15)12-3-2-4-16(12)7-11-8-17-9-13-11/h5-6,8-9,12H,2-4,7H2,1H3
InChIKeyBHMVRDZJBUXXHB-UHFFFAOYSA-N
XLogP2.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.21
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
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
CID 53602914
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-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 56779447
2-Propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56781078
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 56825160
2-Cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56825166
2-Tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56825180
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71982717
N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72915471
4-Cyclopentyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 71992965

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 118741509) is 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is Cn1cc(C2CCCN2Cc2cscn2)cn1.
What is the InChIKey of 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BHMVRDZJBUXXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-15-6-10(5-14-15)12-3-2-4-16(12)7-11-8-17-9-13-11/h5-6,8-9,12H,2-4,7H2,1H3.
What are the key properties of 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 248.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118741509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).