1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea

C15H22N8O — CID 139017703

IUPAC1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea
SMILESCCCn1ncc(NC(=O)NC2(c3nn[nH]n3)CCC2)c1C1CC1
InChIInChI=1S/C15H22N8O/c1-2-8-23-12(10-4-5-10)11(9-16-23)17-14(24)18-15(6-3-7-15)13-19-21-22-20-13/h9-10H,2-8H2,1H3,(H2,17,18,24)(H,19,20,21,22)
InChIKeyHKJUOGKWIMASDG-UHFFFAOYSA-N
MW330.40 g/mol
LogP1.88
Rot. Bonds6

About 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea

1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea (PubChem CID 139017703) has the molecular formula C15H22N8O and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea
PubChem CID139017703
Molecular FormulaC15H22N8O
Molecular Weight330.40 g/mol
Exact Mass330.19
IUPAC Name1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea
SMILESCCCn1ncc(NC(=O)NC2(c3nn[nH]n3)CCC2)c1C1CC1
InChIInChI=1S/C15H22N8O/c1-2-8-23-12(10-4-5-10)11(9-16-23)17-14(24)18-15(6-3-7-15)13-19-21-22-20-13/h9-10H,2-8H2,1H3,(H2,17,18,24)(H,19,20,21,22)
InChIKeyHKJUOGKWIMASDG-UHFFFAOYSA-N
XLogP1.88
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea (CID 139017703) is 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea is CCCn1ncc(NC(=O)NC2(c3nn[nH]n3)CCC2)c1C1CC1.
What is the InChIKey of 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea?
The InChIKey is HKJUOGKWIMASDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O/c1-2-8-23-12(10-4-5-10)11(9-16-23)17-14(24)18-15(6-3-7-15)13-19-21-22-20-13/h9-10H,2-8H2,1H3,(H2,17,18,24)(H,19,20,21,22).
What are the key properties of 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea?
1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea has a molecular weight of 330.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1-propylpyrazol-4-yl)-3-[1-(2H-tetrazol-5-yl)cyclobutyl]urea is sourced from PubChem (CID 139017703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).