1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea

C10H18N4O — CID 47239068

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C10H18N4O/c1-3-5-11-10(15)12-6-4-9-7-13-14(2)8-9/h7-8H,3-6H2,1-2H3,(H2,11,12,15)
InChIKeyKNXSURGVYTZEDF-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.67
Rot. Bonds5

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea (PubChem CID 47239068) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
PubChem CID47239068
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C10H18N4O/c1-3-5-11-10(15)12-6-4-9-7-13-14(2)8-9/h7-8H,3-6H2,1-2H3,(H2,11,12,15)
InChIKeyKNXSURGVYTZEDF-UHFFFAOYSA-N
XLogP0.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689654
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
CID 80689128
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022
(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 103831501
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 80682285
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
3-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689431
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
CID 80682163
(2S,3S)-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 80688858

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea (CID 47239068) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea is CCCNC(=O)NCCc1cnn(C)c1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea?
The InChIKey is KNXSURGVYTZEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-5-11-10(15)12-6-4-9-7-13-14(2)8-9/h7-8H,3-6H2,1-2H3,(H2,11,12,15).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea?
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea has a molecular weight of 210.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea is sourced from PubChem (CID 47239068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).