1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea

C12H16N4OS — CID 36974759

IUPAC1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
SMILESC[C@H](NC(=O)NCc1ccnn1C)c1cccs1
InChIInChI=1S/C12H16N4OS/c1-9(11-4-3-7-18-11)15-12(17)13-8-10-5-6-14-16(10)2/h3-7,9H,8H2,1-2H3,(H2,13,15,17)/t9-/m0/s1
InChIKeySGAGFBXYEWIFAF-VIFPVBQESA-N
MW264.35 g/mol
LogP2.04
Rot. Bonds4

About 1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea

1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea (PubChem CID 36974759) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
PubChem CID36974759
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
SMILESC[C@H](NC(=O)NCc1ccnn1C)c1cccs1
InChIInChI=1S/C12H16N4OS/c1-9(11-4-3-7-18-11)15-12(17)13-8-10-5-6-14-16(10)2/h3-7,9H,8H2,1-2H3,(H2,13,15,17)/t9-/m0/s1
InChIKeySGAGFBXYEWIFAF-VIFPVBQESA-N
XLogP2.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
N-[3-methyl-1-[(2-methylpyrazol-3-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42958272
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111440845
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
CID 63302557
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea
CID 51083632
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
2-[(1-thiophen-2-ylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381318
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(1-thiophen-2-ylethyl)urea
CID 51081847
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974773

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea (CID 36974759) is 1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea is C[C@H](NC(=O)NCc1ccnn1C)c1cccs1.
What is the InChIKey of 1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea?
The InChIKey is SGAGFBXYEWIFAF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9(11-4-3-7-18-11)15-12(17)13-8-10-5-6-14-16(10)2/h3-7,9H,8H2,1-2H3,(H2,13,15,17)/t9-/m0/s1.
What are the key properties of 1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea?
1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea has a molecular weight of 264.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 36974759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).