N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide

C16H19N3O2 — CID 131913448

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1[nH]ncc1CN(C)C(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H19N3O2/c1-11-14(9-17-18-11)10-19(2)16(20)13-5-6-15-12(8-13)4-3-7-21-15/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,18)
InChIKeyPGNLWLFVYXNFLV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.32
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide

N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 131913448) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID131913448
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1[nH]ncc1CN(C)C(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H19N3O2/c1-11-14(9-17-18-11)10-19(2)16(20)13-5-6-15-12(8-13)4-3-7-21-15/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,18)
InChIKeyPGNLWLFVYXNFLV-UHFFFAOYSA-N
XLogP2.32
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693378
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925206
3-(2-methoxyethoxy)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 126820356
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79530883
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107206756
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826329
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90355177

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 131913448) is N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide is Cc1[nH]ncc1CN(C)C(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is PGNLWLFVYXNFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-14(9-17-18-11)10-19(2)16(20)13-5-6-15-12(8-13)4-3-7-21-15/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 131913448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).