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

C16H19N3O2 — CID 97279541

IUPAC(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2COc3ccccc3C2)cnn1C
InChIInChI=1S/C16H19N3O2/c1-11-14(9-18-19(11)2)8-17-16(20)13-7-12-5-3-4-6-15(12)21-10-13/h3-6,9,13H,7-8,10H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyYBINQZPLQUZQTD-ZDUSSCGKSA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds3

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

(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97279541) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97279541
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2COc3ccccc3C2)cnn1C
InChIInChI=1S/C16H19N3O2/c1-11-14(9-18-19(11)2)8-17-16(20)13-7-12-5-3-4-6-15(12)21-10-13/h3-6,9,13H,7-8,10H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyYBINQZPLQUZQTD-ZDUSSCGKSA-N
XLogP1.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 61022270
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95172963
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72873004
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931831
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275381
(3S)-N-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9244994
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72837426

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 97279541) is (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is Cc1c(CNC(=O)[C@@H]2COc3ccccc3C2)cnn1C.
What is the InChIKey of (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is YBINQZPLQUZQTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-14(9-18-19(11)2)8-17-16(20)13-7-12-5-3-4-6-15(12)21-10-13/h3-6,9,13H,7-8,10H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97279541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).