(1-ethylpyrazol-4-yl)methylurea

C7H12N4O — CID 131065199

IUPAC(1-ethylpyrazol-4-yl)methylurea
SMILESCCn1cc(CNC(N)=O)cn1
InChIInChI=1S/C7H12N4O/c1-2-11-5-6(4-10-11)3-9-7(8)12/h4-5H,2-3H2,1H3,(H3,8,9,12)
InChIKeyBEUAJBPVKDOTBI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.07
Rot. Bonds3

About (1-ethylpyrazol-4-yl)methylurea

(1-ethylpyrazol-4-yl)methylurea (PubChem CID 131065199) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)methylurea.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)methylurea
PubChem CID131065199
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name(1-ethylpyrazol-4-yl)methylurea
SMILESCCn1cc(CNC(N)=O)cn1
InChIInChI=1S/C7H12N4O/c1-2-11-5-6(4-10-11)3-9-7(8)12/h4-5H,2-3H2,1H3,(H3,8,9,12)
InChIKeyBEUAJBPVKDOTBI-UHFFFAOYSA-N
XLogP0.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
CID 62126521
3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide
CID 104666922
2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
CID 19524572
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
2-ethyl-2-[(1-ethylpyrazol-4-yl)methylamino]butanoic acid
CID 79804266
2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 62125646
methyl (2S)-2-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 94358808
N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
CID 62127943
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824
3-(1-ethylpyrazol-4-yl)propanehydrazide
CID 55281645
N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261948

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)methylurea?
The IUPAC name of (1-ethylpyrazol-4-yl)methylurea (CID 131065199) is (1-ethylpyrazol-4-yl)methylurea.
What is the SMILES notation for (1-ethylpyrazol-4-yl)methylurea?
The canonical SMILES for (1-ethylpyrazol-4-yl)methylurea is CCn1cc(CNC(N)=O)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)methylurea?
The InChIKey is BEUAJBPVKDOTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-11-5-6(4-10-11)3-9-7(8)12/h4-5H,2-3H2,1H3,(H3,8,9,12).
What are the key properties of (1-ethylpyrazol-4-yl)methylurea?
(1-ethylpyrazol-4-yl)methylurea has a molecular weight of 168.20 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)methylurea is sourced from PubChem (CID 131065199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).