1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea

C16H20N6O — CID 154841350

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea
SMILESCCn1cc(CN(C)C(=O)Nc2cccc3c2cnn3C)cn1
InChIInChI=1S/C16H20N6O/c1-4-22-11-12(8-18-22)10-20(2)16(23)19-14-6-5-7-15-13(14)9-17-21(15)3/h5-9,11H,4,10H2,1-3H3,(H,19,23)
InChIKeyIGPMHHGRNYUEMZ-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.45
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea

1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea (PubChem CID 154841350) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea
PubChem CID154841350
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea
SMILESCCn1cc(CN(C)C(=O)Nc2cccc3c2cnn3C)cn1
InChIInChI=1S/C16H20N6O/c1-4-22-11-12(8-18-22)10-20(2)16(23)19-14-6-5-7-15-13(14)9-17-21(15)3/h5-9,11H,4,10H2,1-3H3,(H,19,23)
InChIKeyIGPMHHGRNYUEMZ-UHFFFAOYSA-N
XLogP2.45
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea (CID 154841350) is 1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea is CCn1cc(CN(C)C(=O)Nc2cccc3c2cnn3C)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea?
The InChIKey is IGPMHHGRNYUEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-4-22-11-12(8-18-22)10-20(2)16(23)19-14-6-5-7-15-13(14)9-17-21(15)3/h5-9,11H,4,10H2,1-3H3,(H,19,23).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea?
1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea has a molecular weight of 312.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-(1-methylindazol-4-yl)urea is sourced from PubChem (CID 154841350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).