1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea

C16H20N8O — CID 75477180

IUPAC1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea
SMILESCCn1cc(NC(=O)Nc2ccccc2-c2nnnn2C(C)C)cn1
InChIInChI=1S/C16H20N8O/c1-4-23-10-12(9-17-23)18-16(25)19-14-8-6-5-7-13(14)15-20-21-22-24(15)11(2)3/h5-11H,4H2,1-3H3,(H2,18,19,25)
InChIKeyQUQHDSZAYOSWMJ-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.78
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea

1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea (PubChem CID 75477180) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea
PubChem CID75477180
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea
SMILESCCn1cc(NC(=O)Nc2ccccc2-c2nnnn2C(C)C)cn1
InChIInChI=1S/C16H20N8O/c1-4-23-10-12(9-17-23)18-16(25)19-14-8-6-5-7-13(14)15-20-21-22-24(15)11(2)3/h5-11H,4H2,1-3H3,(H2,18,19,25)
InChIKeyQUQHDSZAYOSWMJ-UHFFFAOYSA-N
XLogP2.78
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]propanamide
CID 75503548
3-[3-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122089674
1-(1-cyanobutan-2-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea
CID 86797560
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
(2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide
CID 95331748
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 75454092
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
CID 43543950
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea (CID 75477180) is 1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea is CCn1cc(NC(=O)Nc2ccccc2-c2nnnn2C(C)C)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea?
The InChIKey is QUQHDSZAYOSWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-4-23-10-12(9-17-23)18-16(25)19-14-8-6-5-7-13(14)15-20-21-22-24(15)11(2)3/h5-11H,4H2,1-3H3,(H2,18,19,25).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea?
1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea has a molecular weight of 340.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 75477180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).