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

C20H19N3O3 — CID 44571520

IUPACN-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cc(NC(=O)C2COc3ccccc3C2)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H19N3O3/c1-25-19-9-16(6-7-17(19)15-10-21-22-11-15)23-20(24)14-8-13-4-2-3-5-18(13)26-12-14/h2-7,9-11,14H,8,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyALCYEYMJMMRBQL-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.28
Rot. Bonds4

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

N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 44571520) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID44571520
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cc(NC(=O)C2COc3ccccc3C2)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H19N3O3/c1-25-19-9-16(6-7-17(19)15-10-21-22-11-15)23-20(24)14-8-13-4-2-3-5-18(13)26-12-14/h2-7,9-11,14H,8,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyALCYEYMJMMRBQL-UHFFFAOYSA-N
XLogP3.28
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 44571520) is N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1cc(NC(=O)C2COc3ccccc3C2)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ALCYEYMJMMRBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-19-9-16(6-7-17(19)15-10-21-22-11-15)23-20(24)14-8-13-4-2-3-5-18(13)26-12-14/h2-7,9-11,14H,8,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 44571520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).