4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C17H24N4O — CID 51104763

IUPAC4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNC1CCOc2ccccc21
InChIInChI=1S/C17H24N4O/c1-12-14(17(20(2)3)21(4)19-12)11-18-15-9-10-22-16-8-6-5-7-13(15)16/h5-8,15,18H,9-11H2,1-4H3
InChIKeyNEALZMRECAAABB-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.41
Rot. Bonds4

About 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 51104763) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID51104763
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNC1CCOc2ccccc21
InChIInChI=1S/C17H24N4O/c1-12-14(17(20(2)3)21(4)19-12)11-18-15-9-10-22-16-8-6-5-7-13(15)16/h5-8,15,18H,9-11H2,1-4H3
InChIKeyNEALZMRECAAABB-UHFFFAOYSA-N
XLogP2.41
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine with MolForge

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Related Compounds

3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136132276
1,3-Dimethyl-6-(2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135529725
1-benzyl-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 970025
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 16026588
1-Ethyl-3-methyl-6-(2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419216
1-Butyl-3-methyl-6-(2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135467743
1-(2,5-Dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
(6R)-N-ethyl-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene-17-carboxamide
CID 54670446
US10351575, Example 13
CID 90169130
Cyclopentyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 6411203
2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 16026626

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 51104763) is 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNC1CCOc2ccccc21.
What is the InChIKey of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is NEALZMRECAAABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-14(17(20(2)3)21(4)19-12)11-18-15-9-10-22-16-8-6-5-7-13(15)16/h5-8,15,18H,9-11H2,1-4H3.
What are the key properties of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 300.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 51104763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).