1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea

C18H24N4O2 — CID 99823863

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
SMILESCc1nn(-c2ccccc2)cc1CNC(=O)N(C)CC1(CO)CC1
InChIInChI=1S/C18H24N4O2/c1-14-15(11-22(20-14)16-6-4-3-5-7-16)10-19-17(24)21(2)12-18(13-23)8-9-18/h3-7,11,23H,8-10,12-13H2,1-2H3,(H,19,24)
InChIKeyLHGOMURYPBSWGY-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.09
Rot. Bonds6

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 99823863) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
PubChem CID99823863
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
SMILESCc1nn(-c2ccccc2)cc1CNC(=O)N(C)CC1(CO)CC1
InChIInChI=1S/C18H24N4O2/c1-14-15(11-22(20-14)16-6-4-3-5-7-16)10-19-17(24)21(2)12-18(13-23)8-9-18/h3-7,11,23H,8-10,12-13H2,1-2H3,(H,19,24)
InChIKeyLHGOMURYPBSWGY-UHFFFAOYSA-N
XLogP2.09
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea with MolForge

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Related Compounds

3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide
CID 99830472
3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920
1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
CID 99840232
2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
CID 110905987
(2S)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]-3-phenylpropanoic acid
CID 99779368
4-methyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 120510085
1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972062
2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 111470542
4-fluoro-4-[[(3-methyl-1-phenylpyrazol-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167861878
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 80712093
2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 86795197
1-(furan-2-ylmethyl)-2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine
CID 110026754

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea (CID 99823863) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea is Cc1nn(-c2ccccc2)cc1CNC(=O)N(C)CC1(CO)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is LHGOMURYPBSWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-15(11-22(20-14)16-6-4-3-5-7-16)10-19-17(24)21(2)12-18(13-23)8-9-18/h3-7,11,23H,8-10,12-13H2,1-2H3,(H,19,24).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 99823863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).