1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea

C12H15N5O — CID 43543950

IUPAC1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)Nc2cccc(N)c2)cn1
InChIInChI=1S/C12H15N5O/c1-2-17-8-11(7-14-17)16-12(18)15-10-5-3-4-9(13)6-10/h3-8H,2,13H2,1H3,(H2,15,16,18)
InChIKeyKPLIEONJCOBPQL-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.13
Rot. Bonds3

About 1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea

1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 43543950) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
PubChem CID43543950
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)Nc2cccc(N)c2)cn1
InChIInChI=1S/C12H15N5O/c1-2-17-8-11(7-14-17)16-12(18)15-10-5-3-4-9(13)6-10/h3-8H,2,13H2,1H3,(H2,15,16,18)
InChIKeyKPLIEONJCOBPQL-UHFFFAOYSA-N
XLogP2.13
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
CID 60551908
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
ethyl 1-[2-(3-aminoanilino)-2-oxoethyl]pyrazole-4-carboxylate
CID 81494606
4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
CID 43643735
1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 43643732
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea (CID 43543950) is 1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea is CCn1cc(NC(=O)Nc2cccc(N)c2)cn1.
What is the InChIKey of 1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is KPLIEONJCOBPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-17-8-11(7-14-17)16-12(18)15-10-5-3-4-9(13)6-10/h3-8H,2,13H2,1H3,(H2,15,16,18).
What are the key properties of 1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea?
1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 245.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 43543950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).