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

C19H25N3O2 — CID 97126150

IUPAC(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H]1COc2ccccc2C1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)17-10-15(20-21-17)11-22(4)18(23)14-9-13-7-5-6-8-16(13)24-12-14/h5-8,10,14H,9,11-12H2,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyXBXHYSKRJDNFEV-CQSZACIVSA-N
MW327.43 g/mol
LogP2.92
Rot. Bonds3

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

(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97126150) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97126150
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H]1COc2ccccc2C1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)17-10-15(20-21-17)11-22(4)18(23)14-9-13-7-5-6-8-16(13)24-12-14/h5-8,10,14H,9,11-12H2,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyXBXHYSKRJDNFEV-CQSZACIVSA-N
XLogP2.92
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 72876370
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72863180
(4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97272735
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64512377
N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 46420250
(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95964792
N-methyl-N-(1,2-oxazol-5-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 155965634
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 134040901
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24515244
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97119544
(3S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 94182255
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46436469

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 97126150) is (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H]1COc2ccccc2C1.
What is the InChIKey of (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is XBXHYSKRJDNFEV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)17-10-15(20-21-17)11-22(4)18(23)14-9-13-7-5-6-8-16(13)24-12-14/h5-8,10,14H,9,11-12H2,1-4H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97126150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).