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

C19H25N3O2 — CID 72854677

IUPACN-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C19H25N3O2/c1-14(2)10-22(12-15-9-20-21(3)11-15)19(23)17-8-16-6-4-5-7-18(16)24-13-17/h4-7,9,11,14,17H,8,10,12-13H2,1-3H3
InChIKeyDITZCJNSLSIAAT-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.66
Rot. Bonds5

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

N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72854677) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72854677
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)CN(Cc1cnn(C)c1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C19H25N3O2/c1-14(2)10-22(12-15-9-20-21(3)11-15)19(23)17-8-16-6-4-5-7-18(16)24-13-17/h4-7,9,11,14,17H,8,10,12-13H2,1-3H3
InChIKeyDITZCJNSLSIAAT-UHFFFAOYSA-N
XLogP2.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72854677) is N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)CN(Cc1cnn(C)c1)C(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DITZCJNSLSIAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)10-22(12-15-9-20-21(3)11-15)19(23)17-8-16-6-4-5-7-18(16)24-13-17/h4-7,9,11,14,17H,8,10,12-13H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72854677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).