1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea

C16H23N5OS — CID 125164754

IUPAC1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCN(C)[C@H](CNC(=O)Nc1ccnn1CC1CC1)c1cccs1
InChIInChI=1S/C16H23N5OS/c1-20(2)13(14-4-3-9-23-14)10-17-16(22)19-15-7-8-18-21(15)11-12-5-6-12/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H2,17,19,22)/t13-/m1/s1
InChIKeyDESUOGGVGUNBHN-CYBMUJFWSA-N
MW333.46 g/mol
LogP2.78
Rot. Bonds7

About 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea

1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea (PubChem CID 125164754) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
PubChem CID125164754
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCN(C)[C@H](CNC(=O)Nc1ccnn1CC1CC1)c1cccs1
InChIInChI=1S/C16H23N5OS/c1-20(2)13(14-4-3-9-23-14)10-17-16(22)19-15-7-8-18-21(15)11-12-5-6-12/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H2,17,19,22)/t13-/m1/s1
InChIKeyDESUOGGVGUNBHN-CYBMUJFWSA-N
XLogP2.78
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea with MolForge

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Related Compounds

1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99713787
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194289
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51945229
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 94030001
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95134541
2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide
CID 51118835
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide
CID 30835013
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea (CID 125164754) is 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea is CN(C)[C@H](CNC(=O)Nc1ccnn1CC1CC1)c1cccs1.
What is the InChIKey of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The InChIKey is DESUOGGVGUNBHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-20(2)13(14-4-3-9-23-14)10-17-16(22)19-15-7-8-18-21(15)11-12-5-6-12/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H2,17,19,22)/t13-/m1/s1.
What are the key properties of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea has a molecular weight of 333.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 125164754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).