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

C16H19N3O2 — CID 72876271

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H19N3O2/c1-18(9-12-8-17-19(2)10-12)16(20)14-7-13-5-3-4-6-15(13)21-11-14/h3-6,8,10,14H,7,9,11H2,1-2H3
InChIKeyNBUKBWMZUWANTC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.63
Rot. Bonds3

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

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72876271) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72876271
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H19N3O2/c1-18(9-12-8-17-19(2)10-12)16(20)14-7-13-5-3-4-6-15(13)21-11-14/h3-6,8,10,14H,7,9,11H2,1-2H3
InChIKeyNBUKBWMZUWANTC-UHFFFAOYSA-N
XLogP1.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72876271) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)C1COc2ccccc2C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NBUKBWMZUWANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(9-12-8-17-19(2)10-12)16(20)14-7-13-5-3-4-6-15(13)21-11-14/h3-6,8,10,14H,7,9,11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72876271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).