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

C19H16ClN3O2 — CID 44571598

IUPAC6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H16ClN3O2/c20-16-3-6-18-13(8-16)7-14(11-25-18)19(24)23-17-4-1-12(2-5-17)15-9-21-22-10-15/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24)
InChIKeyOMWZPRJUHLJDJF-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.92
Rot. Bonds3

About 6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 44571598) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID44571598
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H16ClN3O2/c20-16-3-6-18-13(8-16)7-14(11-25-18)19(24)23-17-4-1-12(2-5-17)15-9-21-22-10-15/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24)
InChIKeyOMWZPRJUHLJDJF-UHFFFAOYSA-N
XLogP3.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 44571598) is 6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(-c2cn[nH]c2)cc1)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is OMWZPRJUHLJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-16-3-6-18-13(8-16)7-14(11-25-18)19(24)23-17-4-1-12(2-5-17)15-9-21-22-10-15/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24).
What are the key properties of 6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 44571598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).