1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea

C15H22N4OS — CID 95129803

IUPAC1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
SMILESCC(C)[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1cccs1
InChIInChI=1S/C15H22N4OS/c1-11(2)14(13-6-5-7-21-13)17-15(20)18(3)9-12-8-16-19(4)10-12/h5-8,10-11,14H,9H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyMKRAMZIFYVJWQD-CQSZACIVSA-N
MW306.44 g/mol
LogP3.02
Rot. Bonds5

About 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea (PubChem CID 95129803) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
PubChem CID95129803
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
SMILESCC(C)[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1cccs1
InChIInChI=1S/C15H22N4OS/c1-11(2)14(13-6-5-7-21-13)17-15(20)18(3)9-12-8-16-19(4)10-12/h5-8,10-11,14H,9H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyMKRAMZIFYVJWQD-CQSZACIVSA-N
XLogP3.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea with MolForge

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Related Compounds

1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 30302557
3,3-dimethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 61439818
3-[1-(2-methoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 75459929
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
CID 95135788
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea
CID 51083632
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 134037051
3-[1-(4-ethylsulfanylphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 56825761
3-(4-hydroxy-1-phenylbutyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 111456188
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874
3-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 41215402
(2S)-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61439965

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea (CID 95129803) is 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea is CC(C)[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1cccs1.
What is the InChIKey of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea?
The InChIKey is MKRAMZIFYVJWQD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11(2)14(13-6-5-7-21-13)17-15(20)18(3)9-12-8-16-19(4)10-12/h5-8,10-11,14H,9H2,1-4H3,(H,17,20)/t14-/m1/s1.
What are the key properties of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea?
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea has a molecular weight of 306.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 95129803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).