1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea

C14H23N5O — CID 134179399

IUPAC1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea
SMILESC[C@H]1Cn2ncc(NC(=O)NC3CCCCC3)c2CN1
InChIInChI=1S/C14H23N5O/c1-10-9-19-13(8-15-10)12(7-16-19)18-14(20)17-11-5-3-2-4-6-11/h7,10-11,15H,2-6,8-9H2,1H3,(H2,17,18,20)/t10-/m0/s1
InChIKeySCORVMCLVDBUGZ-JTQLQIEISA-N
MW277.37 g/mol
LogP1.83
Rot. Bonds2

About 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea

1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea (PubChem CID 134179399) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea
PubChem CID134179399
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea
SMILESC[C@H]1Cn2ncc(NC(=O)NC3CCCCC3)c2CN1
InChIInChI=1S/C14H23N5O/c1-10-9-19-13(8-15-10)12(7-16-19)18-14(20)17-11-5-3-2-4-6-11/h7,10-11,15H,2-6,8-9H2,1H3,(H2,17,18,20)/t10-/m0/s1
InChIKeySCORVMCLVDBUGZ-JTQLQIEISA-N
XLogP1.83
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea (CID 134179399) is 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea is C[C@H]1Cn2ncc(NC(=O)NC3CCCCC3)c2CN1.
What is the InChIKey of 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea?
The InChIKey is SCORVMCLVDBUGZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-9-19-13(8-15-10)12(7-16-19)18-14(20)17-11-5-3-2-4-6-11/h7,10-11,15H,2-6,8-9H2,1H3,(H2,17,18,20)/t10-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea?
1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea has a molecular weight of 277.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea is sourced from PubChem (CID 134179399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).