1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea

C15H28N4O2 — CID 111454622

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NCC(C)Cn1nc(C)cc1C
InChIInChI=1S/C15H28N4O2/c1-5-14(6-7-20)17-15(21)16-9-11(2)10-19-13(4)8-12(3)18-19/h8,11,14,20H,5-7,9-10H2,1-4H3,(H2,16,17,21)
InChIKeyBCZJDYSJFDQDCW-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.60
Rot. Bonds8

About 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea

1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111454622) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea
PubChem CID111454622
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NCC(C)Cn1nc(C)cc1C
InChIInChI=1S/C15H28N4O2/c1-5-14(6-7-20)17-15(21)16-9-11(2)10-19-13(4)8-12(3)18-19/h8,11,14,20H,5-7,9-10H2,1-4H3,(H2,16,17,21)
InChIKeyBCZJDYSJFDQDCW-UHFFFAOYSA-N
XLogP1.60
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 86838513
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504956
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618588
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119580
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 56787628
1-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 55738906
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(pyrimidin-2-ylamino)urea
CID 87007937
(E)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylpent-2-enamide
CID 94186074
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936610
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028953
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea (CID 111454622) is 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)NCC(C)Cn1nc(C)cc1C.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is BCZJDYSJFDQDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-14(6-7-20)17-15(21)16-9-11(2)10-19-13(4)8-12(3)18-19/h8,11,14,20H,5-7,9-10H2,1-4H3,(H2,16,17,21).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea?
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 296.42 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111454622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).