1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea

C14H22N6O — CID 118766750

IUPAC1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)NCCCc2c(C)n[nH]c2C)cn1
InChIInChI=1S/C14H22N6O/c1-4-20-9-12(8-16-20)17-14(21)15-7-5-6-13-10(2)18-19-11(13)3/h8-9H,4-7H2,1-3H3,(H,18,19)(H2,15,17,21)
InChIKeyJCGLWOOIOZJIBE-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.00
Rot. Bonds6

About 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 118766750) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea
PubChem CID118766750
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)NCCCc2c(C)n[nH]c2C)cn1
InChIInChI=1S/C14H22N6O/c1-4-20-9-12(8-16-20)17-14(21)15-7-5-6-13-10(2)18-19-11(13)3/h8-9H,4-7H2,1-3H3,(H,18,19)(H2,15,17,21)
InChIKeyJCGLWOOIOZJIBE-UHFFFAOYSA-N
XLogP2.00
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685526
1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 121499826
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide
CID 92634677
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea (CID 118766750) is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea is CCn1cc(NC(=O)NCCCc2c(C)n[nH]c2C)cn1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is JCGLWOOIOZJIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-4-20-9-12(8-16-20)17-14(21)15-7-5-6-13-10(2)18-19-11(13)3/h8-9H,4-7H2,1-3H3,(H,18,19)(H2,15,17,21).
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea?
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 290.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 118766750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).