1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C19H32N4O — CID 56799711

IUPAC1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1C(C)NC(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C19H32N4O/c1-11(16-12(2)22-23(7)13(16)3)20-17(24)21-15-10-14-8-9-19(15,6)18(14,4)5/h11,14-15H,8-10H2,1-7H3,(H2,20,21,24)
InChIKeyHAVRODLSUXKUMF-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.61
Rot. Bonds3

About 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 56799711) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID56799711
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1C(C)NC(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C19H32N4O/c1-11(16-12(2)22-23(7)13(16)3)20-17(24)21-15-10-14-8-9-19(15,6)18(14,4)5/h11,14-15H,8-10H2,1-7H3,(H2,20,21,24)
InChIKeyHAVRODLSUXKUMF-UHFFFAOYSA-N
XLogP3.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 56799711) is 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1C(C)NC(=O)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is HAVRODLSUXKUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-11(16-12(2)22-23(7)13(16)3)20-17(24)21-15-10-14-8-9-19(15,6)18(14,4)5/h11,14-15H,8-10H2,1-7H3,(H2,20,21,24).
What are the key properties of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 332.49 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 56799711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).