N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide

C25H36N4O2 — CID 24783028

IUPACN-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)n(-c2ccc(OCCCN3CCC[C@H]3C)cc2)n1
InChIInChI=1S/C25H36N4O2/c1-19-18-24(25(30)26-21-9-4-3-5-10-21)29(27-19)22-11-13-23(14-12-22)31-17-7-16-28-15-6-8-20(28)2/h11-14,18,20-21H,3-10,15-17H2,1-2H3,(H,26,30)/t20-/m1/s1
InChIKeyWVYVWKPFJBUUAE-HXUWFJFHSA-N
MW424.59 g/mol
LogP4.50
Rot. Bonds8

About N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide

N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide (PubChem CID 24783028) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide
PubChem CID24783028
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)n(-c2ccc(OCCCN3CCC[C@H]3C)cc2)n1
InChIInChI=1S/C25H36N4O2/c1-19-18-24(25(30)26-21-9-4-3-5-10-21)29(27-19)22-11-13-23(14-12-22)31-17-7-16-28-15-6-8-20(28)2/h11-14,18,20-21H,3-10,15-17H2,1-2H3,(H,26,30)/t20-/m1/s1
InChIKeyWVYVWKPFJBUUAE-HXUWFJFHSA-N
XLogP4.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide (CID 24783028) is N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCCC2)n(-c2ccc(OCCCN3CCC[C@H]3C)cc2)n1.
What is the InChIKey of N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide?
The InChIKey is WVYVWKPFJBUUAE-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-19-18-24(25(30)26-21-9-4-3-5-10-21)29(27-19)22-11-13-23(14-12-22)31-17-7-16-28-15-6-8-20(28)2/h11-14,18,20-21H,3-10,15-17H2,1-2H3,(H,26,30)/t20-/m1/s1.
What are the key properties of N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide?
N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 24783028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).