1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

C15H19N5O2S — CID 71910991

IUPAC1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCC(C)n1cc(C#N)c(NC(=O)NCC(C)(O)c2cccs2)n1
InChIInChI=1S/C15H19N5O2S/c1-10(2)20-8-11(7-16)13(19-20)18-14(21)17-9-15(3,22)12-5-4-6-23-12/h4-6,8,10,22H,9H2,1-3H3,(H2,17,18,19,21)
InChIKeyHCHNHJCMFCVUAO-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.43
Rot. Bonds5

About 1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (PubChem CID 71910991) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
PubChem CID71910991
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCC(C)n1cc(C#N)c(NC(=O)NCC(C)(O)c2cccs2)n1
InChIInChI=1S/C15H19N5O2S/c1-10(2)20-8-11(7-16)13(19-20)18-14(21)17-9-15(3,22)12-5-4-6-23-12/h4-6,8,10,22H,9H2,1-3H3,(H2,17,18,19,21)
InChIKeyHCHNHJCMFCVUAO-UHFFFAOYSA-N
XLogP2.43
TPSA102.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95899266
3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983254
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 111440930
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
CID 111442867
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methyl-5-nitrophenyl)urea
CID 111442853
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111442981
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443293
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (CID 71910991) is 1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is CC(C)n1cc(C#N)c(NC(=O)NCC(C)(O)c2cccs2)n1.
What is the InChIKey of 1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The InChIKey is HCHNHJCMFCVUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10(2)20-8-11(7-16)13(19-20)18-14(21)17-9-15(3,22)12-5-4-6-23-12/h4-6,8,10,22H,9H2,1-3H3,(H2,17,18,19,21).
What are the key properties of 1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea has a molecular weight of 333.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-1-propan-2-ylpyrazol-3-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 71910991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).