1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea

C15H26N4O2 — CID 99707593

IUPAC1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea
SMILESCCCCn1nccc1NC(=O)N[C@@H](C)C1CCOCC1
InChIInChI=1S/C15H26N4O2/c1-3-4-9-19-14(5-8-16-19)18-15(20)17-12(2)13-6-10-21-11-7-13/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H2,17,18,20)/t12-/m0/s1
InChIKeyOUCYQEGUJMRVHJ-LBPRGKRZSA-N
MW294.40 g/mol
LogP2.62
Rot. Bonds6

About 1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea

1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea (PubChem CID 99707593) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea
PubChem CID99707593
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea
SMILESCCCCn1nccc1NC(=O)N[C@@H](C)C1CCOCC1
InChIInChI=1S/C15H26N4O2/c1-3-4-9-19-14(5-8-16-19)18-15(20)17-12(2)13-6-10-21-11-7-13/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H2,17,18,20)/t12-/m0/s1
InChIKeyOUCYQEGUJMRVHJ-LBPRGKRZSA-N
XLogP2.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea (CID 99707593) is 1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea is CCCCn1nccc1NC(=O)N[C@@H](C)C1CCOCC1.
What is the InChIKey of 1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The InChIKey is OUCYQEGUJMRVHJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-4-9-19-14(5-8-16-19)18-15(20)17-12(2)13-6-10-21-11-7-13/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H2,17,18,20)/t12-/m0/s1.
What are the key properties of 1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea has a molecular weight of 294.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 99707593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).