N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C19H24N4O2 — CID 171144644

IUPACN-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2n(n1)CC(Oc1ccncc1)C2
InChIInChI=1S/C19H24N4O2/c24-19(21-14-5-3-1-2-4-6-14)18-12-15-11-17(13-23(15)22-18)25-16-7-9-20-10-8-16/h7-10,12,14,17H,1-6,11,13H2,(H,21,24)
InChIKeyFKGDGZQLXVILFG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.73
Rot. Bonds4

About N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 171144644) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID171144644
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2n(n1)CC(Oc1ccncc1)C2
InChIInChI=1S/C19H24N4O2/c24-19(21-14-5-3-1-2-4-6-14)18-12-15-11-17(13-23(15)22-18)25-16-7-9-20-10-8-16/h7-10,12,14,17H,1-6,11,13H2,(H,21,24)
InChIKeyFKGDGZQLXVILFG-UHFFFAOYSA-N
XLogP2.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171144642
N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171141583
N-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014510
(6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125127222
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cyclopentylpyridine-4-carboxamide
CID 4212000
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433
N-cycloheptylisoquinoline-6-carboxamide
CID 110485190
N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159731
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 171144644) is N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is O=C(NC1CCCCCC1)c1cc2n(n1)CC(Oc1ccncc1)C2.
What is the InChIKey of N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is FKGDGZQLXVILFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(21-14-5-3-1-2-4-6-14)18-12-15-11-17(13-23(15)22-18)25-16-7-9-20-10-8-16/h7-10,12,14,17H,1-6,11,13H2,(H,21,24).
What are the key properties of N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 171144644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).