1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea

C14H25N5OS — CID 71853293

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea
SMILESCN(C)CCn1cc(NC(=O)NCC2(C)CCCS2)cn1
InChIInChI=1S/C14H25N5OS/c1-14(5-4-8-21-14)11-15-13(20)17-12-9-16-19(10-12)7-6-18(2)3/h9-10H,4-8,11H2,1-3H3,(H2,15,17,20)
InChIKeyGNZOEVSHGDLHQD-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.85
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea

1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea (PubChem CID 71853293) has the molecular formula C14H25N5OS and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea
PubChem CID71853293
Molecular FormulaC14H25N5OS
Molecular Weight311.45 g/mol
Exact Mass311.18
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea
SMILESCN(C)CCn1cc(NC(=O)NCC2(C)CCCS2)cn1
InChIInChI=1S/C14H25N5OS/c1-14(5-4-8-21-14)11-15-13(20)17-12-9-16-19(10-12)7-6-18(2)3/h9-10H,4-8,11H2,1-3H3,(H2,15,17,20)
InChIKeyGNZOEVSHGDLHQD-UHFFFAOYSA-N
XLogP1.85
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea
CID 97096667
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111578722
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-hydroxy-2-phenylacetamide
CID 111432605
5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide
CID 95744328
1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715
4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 49088558
2-[4-[[(2-methylthiolan-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458793
(3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide
CID 138027854
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 95744342
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea (CID 71853293) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea is CN(C)CCn1cc(NC(=O)NCC2(C)CCCS2)cn1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea?
The InChIKey is GNZOEVSHGDLHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-14(5-4-8-21-14)11-15-13(20)17-12-9-16-19(10-12)7-6-18(2)3/h9-10H,4-8,11H2,1-3H3,(H2,15,17,20).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea has a molecular weight of 311.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea is sourced from PubChem (CID 71853293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).