3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C16H24N6O2 — CID 125171865

IUPAC3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCN(Cc1noc(C)n1)C(=O)Nc1c(C)cnn1[C@@H](C)C1CC1
InChIInChI=1S/C16H24N6O2/c1-5-21(9-14-18-12(4)24-20-14)16(23)19-15-10(2)8-17-22(15)11(3)13-6-7-13/h8,11,13H,5-7,9H2,1-4H3,(H,19,23)/t11-/m0/s1
InChIKeyVQQHYQMMEOVGSB-NSHDSACASA-N
MW332.41 g/mol
LogP2.91
Rot. Bonds6

About 3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 125171865) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID125171865
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCN(Cc1noc(C)n1)C(=O)Nc1c(C)cnn1[C@@H](C)C1CC1
InChIInChI=1S/C16H24N6O2/c1-5-21(9-14-18-12(4)24-20-14)16(23)19-15-10(2)8-17-22(15)11(3)13-6-7-13/h8,11,13H,5-7,9H2,1-4H3,(H,19,23)/t11-/m0/s1
InChIKeyVQQHYQMMEOVGSB-NSHDSACASA-N
XLogP2.91
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea
CID 97433882
3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 72852507
1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 118785768
N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 46982745
3-(2H-benzotriazol-4-yl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 118776989
N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
CID 46985384
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
CID 119068258
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 72893759
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70752025
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106419572
N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide
CID 46983229

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 125171865) is 3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is CCN(Cc1noc(C)n1)C(=O)Nc1c(C)cnn1[C@@H](C)C1CC1.
What is the InChIKey of 3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is VQQHYQMMEOVGSB-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N6O2/c1-5-21(9-14-18-12(4)24-20-14)16(23)19-15-10(2)8-17-22(15)11(3)13-6-7-13/h8,11,13H,5-7,9H2,1-4H3,(H,19,23)/t11-/m0/s1.
What are the key properties of 3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 332.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 125171865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).