1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea

C19H32N4O2 — CID 111458111

IUPAC1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
SMILESCn1cc(C(C)(O)CNC(=O)NC(C2CCCC2)C2CCCC2)cn1
InChIInChI=1S/C19H32N4O2/c1-19(25,16-11-21-23(2)12-16)13-20-18(24)22-17(14-7-3-4-8-14)15-9-5-6-10-15/h11-12,14-15,17,25H,3-10,13H2,1-2H3,(H2,20,22,24)
InChIKeyRBVATJOHVXIIRN-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.68
Rot. Bonds6

About 1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea

1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 111458111) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID111458111
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
SMILESCn1cc(C(C)(O)CNC(=O)NC(C2CCCC2)C2CCCC2)cn1
InChIInChI=1S/C19H32N4O2/c1-19(25,16-11-21-23(2)12-16)13-20-18(24)22-17(14-7-3-4-8-14)15-9-5-6-10-15/h11-12,14-15,17,25H,3-10,13H2,1-2H3,(H2,20,22,24)
InChIKeyRBVATJOHVXIIRN-UHFFFAOYSA-N
XLogP2.68
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813
1-[cyclopropyl(phenyl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457983
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482946
1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 71972715
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111458023
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111458030
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 111459095
1-(3,5-dimethylphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458903
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea (CID 111458111) is 1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea is Cn1cc(C(C)(O)CNC(=O)NC(C2CCCC2)C2CCCC2)cn1.
What is the InChIKey of 1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is RBVATJOHVXIIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-19(25,16-11-21-23(2)12-16)13-20-18(24)22-17(14-7-3-4-8-14)15-9-5-6-10-15/h11-12,14-15,17,25H,3-10,13H2,1-2H3,(H2,20,22,24).
What are the key properties of 1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 348.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 111458111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).