N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide

C22H18N4O — CID 10970274

IUPACN-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2ccc3ccccc3c2C1
InChIInChI=1S/C22H18N4O/c27-22(24-21-13-20(25-26-21)15-7-9-23-10-8-15)17-11-16-6-5-14-3-1-2-4-18(14)19(16)12-17/h1-10,13,17H,11-12H2,(H2,24,25,26,27)
InChIKeyLOMXCXVWHDXWAC-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.98
Rot. Bonds3

About N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide

N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide (PubChem CID 10970274) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide
PubChem CID10970274
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2ccc3ccccc3c2C1
InChIInChI=1S/C22H18N4O/c27-22(24-21-13-20(25-26-21)15-7-9-23-10-8-15)17-11-16-6-5-14-3-1-2-4-18(14)19(16)12-17/h1-10,13,17H,11-12H2,(H2,24,25,26,27)
InChIKeyLOMXCXVWHDXWAC-UHFFFAOYSA-N
XLogP3.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide?
The IUPAC name of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide (CID 10970274) is N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide?
The canonical SMILES for N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide is O=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2ccc3ccccc3c2C1.
What is the InChIKey of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide?
The InChIKey is LOMXCXVWHDXWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(24-21-13-20(25-26-21)15-7-9-23-10-8-15)17-11-16-6-5-14-3-1-2-4-18(14)19(16)12-17/h1-10,13,17H,11-12H2,(H2,24,25,26,27).
What are the key properties of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide?
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxamide is sourced from PubChem (CID 10970274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).