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

C19H19N3O — CID 29255868

IUPAC(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESc1ccc2c(c1)C[C@@H](NCc1ccc(-n3cccn3)cc1)CO2
InChIInChI=1S/C19H19N3O/c1-2-5-19-16(4-1)12-17(14-23-19)20-13-15-6-8-18(9-7-15)22-11-3-10-21-22/h1-11,17,20H,12-14H2/t17-/m1/s1
InChIKeyYFWKKCGOQYDFMP-QGZVFWFLSA-N
MW305.38 g/mol
LogP2.97
Rot. Bonds4

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

(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 29255868) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID29255868
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESc1ccc2c(c1)C[C@@H](NCc1ccc(-n3cccn3)cc1)CO2
InChIInChI=1S/C19H19N3O/c1-2-5-19-16(4-1)12-17(14-23-19)20-13-15-6-8-18(9-7-15)22-11-3-10-21-22/h1-11,17,20H,12-14H2/t17-/m1/s1
InChIKeyYFWKKCGOQYDFMP-QGZVFWFLSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45222672
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-4-amine
CID 43778672
N-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dihydro-2H-chromen-3-amine
CID 45239496
(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96539026
N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45244633
3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 43775489
(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 136718049
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-3-amine
CID 63923324
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine (CID 29255868) is (3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine is c1ccc2c(c1)C[C@@H](NCc1ccc(-n3cccn3)cc1)CO2.
What is the InChIKey of (3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is YFWKKCGOQYDFMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-5-19-16(4-1)12-17(14-23-19)20-13-15-6-8-18(9-7-15)22-11-3-10-21-22/h1-11,17,20H,12-14H2/t17-/m1/s1.
What are the key properties of (3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 305.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 29255868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).