1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea

C15H26N4O2 — CID 96520372

IUPAC1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea
SMILESCCc1cc(CNC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)[nH]n1
InChIInChI=1S/C15H26N4O2/c1-6-10-7-11(19-18-10)9-16-13(20)17-12-8-15(4,21-5)14(12,2)3/h7,12H,6,8-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t12-,15+/m0/s1
InChIKeyNBPOOUDWODKQRW-SWLSCSKDSA-N
MW294.40 g/mol
LogP1.97
Rot. Bonds5

About 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea

1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea (PubChem CID 96520372) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea.

Molecular Properties

Compound Name1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea
PubChem CID96520372
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea
SMILESCCc1cc(CNC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)[nH]n1
InChIInChI=1S/C15H26N4O2/c1-6-10-7-11(19-18-10)9-16-13(20)17-12-8-15(4,21-5)14(12,2)3/h7,12H,6,8-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t12-,15+/m0/s1
InChIKeyNBPOOUDWODKQRW-SWLSCSKDSA-N
XLogP1.97
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea?
The IUPAC name of 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea (CID 96520372) is 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea.
What is the SMILES notation for 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea?
The canonical SMILES for 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea is CCc1cc(CNC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)[nH]n1.
What is the InChIKey of 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea?
The InChIKey is NBPOOUDWODKQRW-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-10-7-11(19-18-10)9-16-13(20)17-12-8-15(4,21-5)14(12,2)3/h7,12H,6,8-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t12-,15+/m0/s1.
What are the key properties of 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea?
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea has a molecular weight of 294.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea is sourced from PubChem (CID 96520372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).