N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H17N3O2 — CID 25154768

IUPACN-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)C1COc2ccccc2C1
InChIInChI=1S/C19H17N3O2/c23-19(15-9-14-3-1-2-4-18(14)24-12-15)22-17-7-5-13(6-8-17)16-10-20-21-11-16/h1-8,10-11,15H,9,12H2,(H,20,21)(H,22,23)
InChIKeyJJJJNDXIYADPOU-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.27
Rot. Bonds3

About N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 25154768) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID25154768
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)C1COc2ccccc2C1
InChIInChI=1S/C19H17N3O2/c23-19(15-9-14-3-1-2-4-18(14)24-12-15)22-17-7-5-13(6-8-17)16-10-20-21-11-16/h1-8,10-11,15H,9,12H2,(H,20,21)(H,22,23)
InChIKeyJJJJNDXIYADPOU-UHFFFAOYSA-N
XLogP3.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 25154768) is N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(-c2cn[nH]c2)cc1)C1COc2ccccc2C1.
What is the InChIKey of N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JJJJNDXIYADPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(15-9-14-3-1-2-4-18(14)24-12-15)22-17-7-5-13(6-8-17)16-10-20-21-11-16/h1-8,10-11,15H,9,12H2,(H,20,21)(H,22,23).
What are the key properties of N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 25154768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).