1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea

C13H24N4O2 — CID 111437689

IUPAC1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCCCC(O)(CCC)CNC(=O)Nc1ccn(C)n1
InChIInChI=1S/C13H24N4O2/c1-4-7-13(19,8-5-2)10-14-12(18)15-11-6-9-17(3)16-11/h6,9,19H,4-5,7-8,10H2,1-3H3,(H2,14,15,16,18)
InChIKeyLHPNPIWUJCCPOQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.87
Rot. Bonds7

About 1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea

1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea (PubChem CID 111437689) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea
PubChem CID111437689
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCCCC(O)(CCC)CNC(=O)Nc1ccn(C)n1
InChIInChI=1S/C13H24N4O2/c1-4-7-13(19,8-5-2)10-14-12(18)15-11-6-9-17(3)16-11/h6,9,19H,4-5,7-8,10H2,1-3H3,(H2,14,15,16,18)
InChIKeyLHPNPIWUJCCPOQ-UHFFFAOYSA-N
XLogP1.87
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60617048
2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 80540855
2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 79801340
methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707
(2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide
CID 93313980
1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
CID 111578993
1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea
CID 60616962
1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436760
2-[2-[(1-methylpyrazol-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374301
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603
2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 64618955
2-cyano-N-(1-methylpyrazol-3-yl)pentanamide
CID 55208289

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea (CID 111437689) is 1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea is CCCC(O)(CCC)CNC(=O)Nc1ccn(C)n1.
What is the InChIKey of 1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is LHPNPIWUJCCPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-7-13(19,8-5-2)10-14-12(18)15-11-6-9-17(3)16-11/h6,9,19H,4-5,7-8,10H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea?
1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 268.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-propylpentyl)-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 111437689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).