1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea

C14H15FN8O — CID 75454092

IUPAC1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea
SMILESCC(C)n1nnnc1-c1ccc(NC(=O)Nc2cn[nH]c2)cc1F
InChIInChI=1S/C14H15FN8O/c1-8(2)23-13(20-21-22-23)11-4-3-9(5-12(11)15)18-14(24)19-10-6-16-17-7-10/h3-8H,1-2H3,(H,16,17)(H2,18,19,24)
InChIKeyFUDZVBJKGNNJJY-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.43
Rot. Bonds4

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

1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 75454092) has the molecular formula C14H15FN8O and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID75454092
Molecular FormulaC14H15FN8O
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Name1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea
SMILESCC(C)n1nnnc1-c1ccc(NC(=O)Nc2cn[nH]c2)cc1F
InChIInChI=1S/C14H15FN8O/c1-8(2)23-13(20-21-22-23)11-4-3-9(5-12(11)15)18-14(24)19-10-6-16-17-7-10/h3-8H,1-2H3,(H,16,17)(H2,18,19,24)
InChIKeyFUDZVBJKGNNJJY-UHFFFAOYSA-N
XLogP2.43
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122089353
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 122145730
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
3-[3-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122089674
1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea
CID 75477180
1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430028
1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea
CID 166194501
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
CID 107209397
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 47246815
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94038782

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea (CID 75454092) is 1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea is CC(C)n1nnnc1-c1ccc(NC(=O)Nc2cn[nH]c2)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is FUDZVBJKGNNJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN8O/c1-8(2)23-13(20-21-22-23)11-4-3-9(5-12(11)15)18-14(24)19-10-6-16-17-7-10/h3-8H,1-2H3,(H,16,17)(H2,18,19,24).
What are the key properties of 1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea?
1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 330.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 75454092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).