N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C26H32N6O2 — CID 171682883

IUPACN-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N1CCn2ncc(C(=O)Nc3ccc(C4CCCCC4)cc3)c2C1
InChIInChI=1S/C26H32N6O2/c1-18(2)32-23(12-13-27-32)26(34)30-14-15-31-24(17-30)22(16-28-31)25(33)29-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-13,16,18-19H,3-7,14-15,17H2,1-2H3,(H,29,33)
InChIKeySWRXKJDELNXMCV-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.62
Rot. Bonds5

About N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 171682883) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID171682883
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC NameN-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N1CCn2ncc(C(=O)Nc3ccc(C4CCCCC4)cc3)c2C1
InChIInChI=1S/C26H32N6O2/c1-18(2)32-23(12-13-27-32)26(34)30-14-15-31-24(17-30)22(16-28-31)25(33)29-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-13,16,18-19H,3-7,14-15,17H2,1-2H3,(H,29,33)
InChIKeySWRXKJDELNXMCV-UHFFFAOYSA-N
XLogP4.62
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 171682883) is N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is CC(C)n1nccc1C(=O)N1CCn2ncc(C(=O)Nc3ccc(C4CCCCC4)cc3)c2C1.
What is the InChIKey of N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is SWRXKJDELNXMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-18(2)32-23(12-13-27-32)26(34)30-14-15-31-24(17-30)22(16-28-31)25(33)29-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-13,16,18-19H,3-7,14-15,17H2,1-2H3,(H,29,33).
What are the key properties of N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-5-(2-propan-2-ylpyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 171682883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).