N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25N7O2 — CID 66554578

IUPACN-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCON=C1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C24H25N7O2/c1-16-4-10-19(11-5-16)31-22(14-21(28-31)17-6-8-18(9-7-17)29-33-2)27-24(32)20-15-26-30-13-3-12-25-23(20)30/h3-5,10-15,17H,6-9H2,1-2H3,(H,27,32)/b29-18-
InChIKeyVJTJGOGWYCCWQQ-MIXAMLLLSA-N
MW443.51 g/mol
LogP4.14
Rot. Bonds5

About N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554578) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554578
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCON=C1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C24H25N7O2/c1-16-4-10-19(11-5-16)31-22(14-21(28-31)17-6-8-18(9-7-17)29-33-2)27-24(32)20-15-26-30-13-3-12-25-23(20)30/h3-5,10-15,17H,6-9H2,1-2H3,(H,27,32)/b29-18-
InChIKeyVJTJGOGWYCCWQQ-MIXAMLLLSA-N
XLogP4.14
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554578) is N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CON=C1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1.
What is the InChIKey of N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VJTJGOGWYCCWQQ-MIXAMLLLSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-16-4-10-19(11-5-16)31-22(14-21(28-31)17-6-8-18(9-7-17)29-33-2)27-24(32)20-15-26-30-13-3-12-25-23(20)30/h3-5,10-15,17H,6-9H2,1-2H3,(H,27,32)/b29-18-.
What are the key properties of N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).