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

C16H19N3O3 — CID 72840531

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCc1cc(CNC(=O)C2COc3ccccc3C2)[nH]n1
InChIInChI=1S/C16H19N3O3/c1-21-10-14-7-13(18-19-14)8-17-16(20)12-6-11-4-2-3-5-15(11)22-9-12/h2-5,7,12H,6,8-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyGYWDOXKNWMGICY-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.42
Rot. Bonds5

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

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72840531) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72840531
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCc1cc(CNC(=O)C2COc3ccccc3C2)[nH]n1
InChIInChI=1S/C16H19N3O3/c1-21-10-14-7-13(18-19-14)8-17-16(20)12-6-11-4-2-3-5-15(11)22-9-12/h2-5,7,12H,6,8-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyGYWDOXKNWMGICY-UHFFFAOYSA-N
XLogP1.42
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
(3S)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279784
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 61022270
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 163333725
5-[(3,4-dihydro-2H-chromene-3-carbonylamino)methyl]thiophene-2-carboxylic acid
CID 122111115
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044830
N-(2-bromo-3-methoxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113274555
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72840531) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is COCc1cc(CNC(=O)C2COc3ccccc3C2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is GYWDOXKNWMGICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-10-14-7-13(18-19-14)8-17-16(20)12-6-11-4-2-3-5-15(11)22-9-12/h2-5,7,12H,6,8-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72840531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).