[3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine

C13H15N3O — CID 82474070

IUPAC[3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc3c(c2)CCCO3)n[nH]1
InChIInChI=1S/C13H15N3O/c14-8-11-7-12(16-15-11)9-3-4-13-10(6-9)2-1-5-17-13/h3-4,6-7H,1-2,5,8,14H2,(H,15,16)
InChIKeyLQQMXUQJJUSHAR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds2

About [3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine

[3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine (PubChem CID 82474070) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine
PubChem CID82474070
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc3c(c2)CCCO3)n[nH]1
InChIInChI=1S/C13H15N3O/c14-8-11-7-12(16-15-11)9-3-4-13-10(6-9)2-1-5-17-13/h3-4,6-7H,1-2,5,8,14H2,(H,15,16)
InChIKeyLQQMXUQJJUSHAR-UHFFFAOYSA-N
XLogP1.86
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
CID 82477483
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazole
CID 82115637
[4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine
CID 82479154
[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882118
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876928
2-(aminomethyl)-4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-5-carbonitrile
CID 96668019

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine (CID 82474070) is [3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine is NCc1cc(-c2ccc3c(c2)CCCO3)n[nH]1.
What is the InChIKey of [3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is LQQMXUQJJUSHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-11-7-12(16-15-11)9-3-4-13-10(6-9)2-1-5-17-13/h3-4,6-7H,1-2,5,8,14H2,(H,15,16).
What are the key properties of [3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine?
[3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 82474070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).