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

C20H19N3O2 — CID 124510430

IUPAC(3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C20H19N3O2/c1-14-12-21-23(17-8-3-2-4-9-17)19(14)22-20(24)16-11-15-7-5-6-10-18(15)25-13-16/h2-10,12,16H,11,13H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyCXZIOQFWXAMKOW-INIZCTEOSA-N
MW333.39 g/mol
LogP3.37
Rot. Bonds3

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

(3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 124510430) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID124510430
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C20H19N3O2/c1-14-12-21-23(17-8-3-2-4-9-17)19(14)22-20(24)16-11-15-7-5-6-10-18(15)25-13-16/h2-10,12,16H,11,13H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyCXZIOQFWXAMKOW-INIZCTEOSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119042287
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55480745
N-(4,6-dimethyl-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22105811
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-[2-(4-methylpyrazol-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72909703
(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279541
(3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95171735
N-(6-chloro-2-phenylbenzotriazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 45281184
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 124510430) is (3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide is Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1COc2ccccc2C1.
What is the InChIKey of (3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is CXZIOQFWXAMKOW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-12-21-23(17-8-3-2-4-9-17)19(14)22-20(24)16-11-15-7-5-6-10-18(15)25-13-16/h2-10,12,16H,11,13H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 124510430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).