1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea

C11H20N4O2 — CID 111925907

IUPAC1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea
SMILESCCC(CC)(CO)NC(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H20N4O2/c1-4-11(5-2,8-16)14-10(17)13-9-6-12-15(3)7-9/h6-7,16H,4-5,8H2,1-3H3,(H2,13,14,17)
InChIKeyCMCPOJWDMXBHPD-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.09
Rot. Bonds5

About 1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea

1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea (PubChem CID 111925907) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea
PubChem CID111925907
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea
SMILESCCC(CC)(CO)NC(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H20N4O2/c1-4-11(5-2,8-16)14-10(17)13-9-6-12-15(3)7-9/h6-7,16H,4-5,8H2,1-3H3,(H2,13,14,17)
InChIKeyCMCPOJWDMXBHPD-UHFFFAOYSA-N
XLogP1.09
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 79804393
1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926186
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
2-(aminomethyl)-2-methyl-N-(1-methylpyrazol-4-yl)butanamide
CID 114290367
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
CID 107846469
2-(ethylamino)-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 62831574
1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 111473435
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea (CID 111925907) is 1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea is CCC(CC)(CO)NC(=O)Nc1cnn(C)c1.
What is the InChIKey of 1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is CMCPOJWDMXBHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-11(5-2,8-16)14-10(17)13-9-6-12-15(3)7-9/h6-7,16H,4-5,8H2,1-3H3,(H2,13,14,17).
What are the key properties of 1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea?
1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 240.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 111925907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).