1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea

C16H28N4O2 — CID 99820417

IUPAC1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
SMILESCc1cc(C[C@H](C)NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)n[nH]1
InChIInChI=1S/C16H28N4O2/c1-10(7-12-8-11(2)19-20-12)17-14(21)18-13-9-15(3,4)22-16(13,5)6/h8,10,13H,7,9H2,1-6H3,(H,19,20)(H2,17,18,21)/t10-,13+/m0/s1
InChIKeyUZQSWEHHUVVPJM-GXFFZTMASA-N
MW308.43 g/mol
LogP2.29
Rot. Bonds4

About 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea

1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea (PubChem CID 99820417) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
PubChem CID99820417
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
SMILESCc1cc(C[C@H](C)NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)n[nH]1
InChIInChI=1S/C16H28N4O2/c1-10(7-12-8-11(2)19-20-12)17-14(21)18-13-9-15(3,4)22-16(13,5)6/h8,10,13H,7,9H2,1-6H3,(H,19,20)(H2,17,18,21)/t10-,13+/m0/s1
InChIKeyUZQSWEHHUVVPJM-GXFFZTMASA-N
XLogP2.29
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(2S)-1-(2-methylpropoxy)propan-2-yl]urea
CID 96327739
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
CID 71868186
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 72008265
N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 75427964
1-[3-(3,5-Dimethylpyrazol-1-yl)propyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
CID 75473060
1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
CID 86783840
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea
CID 96327740
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea
CID 96520371
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea
CID 96520372
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]urea
CID 96520373
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]urea
CID 96520375
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 97340949

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The IUPAC name of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea (CID 99820417) is 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea.
What is the SMILES notation for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The canonical SMILES for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea is Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)n[nH]1.
What is the InChIKey of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The InChIKey is UZQSWEHHUVVPJM-GXFFZTMASA-N. The full InChI is InChI=1S/C16H28N4O2/c1-10(7-12-8-11(2)19-20-12)17-14(21)18-13-9-15(3,4)22-16(13,5)6/h8,10,13H,7,9H2,1-6H3,(H,19,20)(H2,17,18,21)/t10-,13+/m0/s1.
What are the key properties of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea has a molecular weight of 308.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea is sourced from PubChem (CID 99820417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).