(3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine

C17H23N3O2 — CID 97342077

IUPAC(3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc2c(c1)OC[C@@H](N[C@H](C)CCn1cccn1)C2
InChIInChI=1S/C17H23N3O2/c1-13(6-9-20-8-3-7-18-20)19-15-10-14-4-5-16(21-2)11-17(14)22-12-15/h3-5,7-8,11,13,15,19H,6,9-10,12H2,1-2H3/t13-,15+/m1/s1
InChIKeyDXRGWUANHMGYTQ-HIFRSBDPSA-N
MW301.39 g/mol
LogP2.26
Rot. Bonds6

About (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine

(3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 97342077) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID97342077
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc2c(c1)OC[C@@H](N[C@H](C)CCn1cccn1)C2
InChIInChI=1S/C17H23N3O2/c1-13(6-9-20-8-3-7-18-20)19-15-10-14-4-5-16(21-2)11-17(14)22-12-15/h3-5,7-8,11,13,15,19H,6,9-10,12H2,1-2H3/t13-,15+/m1/s1
InChIKeyDXRGWUANHMGYTQ-HIFRSBDPSA-N
XLogP2.26
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine with MolForge

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Related Compounds

N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol
CID 115977930
2-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid
CID 167863491
2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide
CID 72879552
N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
CID 46991989
6-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116124
6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116123
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97269713
N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine
CID 75499739
2-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97285664
(3S)-7-methoxy-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97134116
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940

Frequently Asked Questions

What is the IUPAC name of (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine (CID 97342077) is (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine is COc1ccc2c(c1)OC[C@@H](N[C@H](C)CCn1cccn1)C2.
What is the InChIKey of (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is DXRGWUANHMGYTQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(6-9-20-8-3-7-18-20)19-15-10-14-4-5-16(21-2)11-17(14)22-12-15/h3-5,7-8,11,13,15,19H,6,9-10,12H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine?
(3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 301.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 97342077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).