1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea

C14H20N4OS — CID 94030702

IUPAC1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
SMILESC[C@@H](c1cccs1)N(C)C(=O)NCCCn1cccn1
InChIInChI=1S/C14H20N4OS/c1-12(13-6-3-11-20-13)17(2)14(19)15-7-4-9-18-10-5-8-16-18/h3,5-6,8,10-12H,4,7,9H2,1-2H3,(H,15,19)/t12-/m0/s1
InChIKeyXKGDQWZZSYJPDN-LBPRGKRZSA-N
MW292.41 g/mol
LogP2.74
Rot. Bonds6

About 1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea

1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea (PubChem CID 94030702) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
PubChem CID94030702
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
SMILESC[C@@H](c1cccs1)N(C)C(=O)NCCCn1cccn1
InChIInChI=1S/C14H20N4OS/c1-12(13-6-3-11-20-13)17(2)14(19)15-7-4-9-18-10-5-8-16-18/h3,5-6,8,10-12H,4,7,9H2,1-2H3,(H,15,19)/t12-/m0/s1
InChIKeyXKGDQWZZSYJPDN-LBPRGKRZSA-N
XLogP2.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 54981184
1-methyl-3-[4-(pyrazol-1-ylmethyl)phenyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 95266017
1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 94124053
5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid
CID 91953225
1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 51959987
ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
CID 97029198
2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 60500518
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid
CID 103995728
1-methyl-1-[(1R)-1-pyridin-2-ylethyl]-3-[3-(triazol-1-yl)propyl]urea
CID 124616805
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030945

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea (CID 94030702) is 1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea is C[C@@H](c1cccs1)N(C)C(=O)NCCCn1cccn1.
What is the InChIKey of 1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea?
The InChIKey is XKGDQWZZSYJPDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-12(13-6-3-11-20-13)17(2)14(19)15-7-4-9-18-10-5-8-16-18/h3,5-6,8,10-12H,4,7,9H2,1-2H3,(H,15,19)/t12-/m0/s1.
What are the key properties of 1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea?
1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea has a molecular weight of 292.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 94030702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).