N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide

C14H13N3O2 — CID 32606480

IUPACN-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide
SMILESCn1cc(NC(=O)C2=Cc3ccccc3OC2)cn1
InChIInChI=1S/C14H13N3O2/c1-17-8-12(7-15-17)16-14(18)11-6-10-4-2-3-5-13(10)19-9-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyHGHRQCYFARDOPI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.83
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide

N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide (PubChem CID 32606480) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide
PubChem CID32606480
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide
SMILESCn1cc(NC(=O)C2=Cc3ccccc3OC2)cn1
InChIInChI=1S/C14H13N3O2/c1-17-8-12(7-15-17)16-14(18)11-6-10-4-2-3-5-13(10)19-9-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyHGHRQCYFARDOPI-UHFFFAOYSA-N
XLogP1.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide (CID 32606480) is N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide is Cn1cc(NC(=O)C2=Cc3ccccc3OC2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide?
The InChIKey is HGHRQCYFARDOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17-8-12(7-15-17)16-14(18)11-6-10-4-2-3-5-13(10)19-9-11/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide?
N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 32606480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).