N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine

C21H23N3O — CID 45222672

IUPACN-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCc1cc(C)c(CNC2COc3ccccc3C2)c(-n2cccn2)c1
InChIInChI=1S/C21H23N3O/c1-15-10-16(2)19(20(11-15)24-9-5-8-23-24)13-22-18-12-17-6-3-4-7-21(17)25-14-18/h3-11,18,22H,12-14H2,1-2H3
InChIKeyQIMYIKFBUBGZGU-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.58
Rot. Bonds4

About N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine

N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 45222672) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID45222672
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCc1cc(C)c(CNC2COc3ccccc3C2)c(-n2cccn2)c1
InChIInChI=1S/C21H23N3O/c1-15-10-16(2)19(20(11-15)24-9-5-8-23-24)13-22-18-12-17-6-3-4-7-21(17)25-14-18/h3-11,18,22H,12-14H2,1-2H3
InChIKeyQIMYIKFBUBGZGU-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29255868
N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 45191874
(3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 92560394
N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 56710373
(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45244633
N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
CID 55059747
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 92713528
N-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dihydro-2H-chromen-3-amine
CID 45239496
(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 136718049
(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29257290

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine (CID 45222672) is N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine is Cc1cc(C)c(CNC2COc3ccccc3C2)c(-n2cccn2)c1.
What is the InChIKey of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is QIMYIKFBUBGZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-10-16(2)19(20(11-15)24-9-5-8-23-24)13-22-18-12-17-6-3-4-7-21(17)25-14-18/h3-11,18,22H,12-14H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 333.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 45222672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).