1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine

C15H20N4 — CID 106038711

IUPAC1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCc1c(CNC2CCc3cc(N)ccc32)cnn1C
InChIInChI=1S/C15H20N4/c1-10-12(9-18-19(10)2)8-17-15-6-3-11-7-13(16)4-5-14(11)15/h4-5,7,9,15,17H,3,6,8,16H2,1-2H3
InChIKeySVONUQCVJFBNIN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.09
Rot. Bonds3

About 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 106038711) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID106038711
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCc1c(CNC2CCc3cc(N)ccc32)cnn1C
InChIInChI=1S/C15H20N4/c1-10-12(9-18-19(10)2)8-17-15-6-3-11-7-13(16)4-5-14(11)15/h4-5,7,9,15,17H,3,6,8,16H2,1-2H3
InChIKeySVONUQCVJFBNIN-UHFFFAOYSA-N
XLogP2.09
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103851430
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737247
(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 75389953
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 107230271
1-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740841
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233
1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741691
1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741671
1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741947
1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79742052
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103905323

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 106038711) is 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is Cc1c(CNC2CCc3cc(N)ccc32)cnn1C.
What is the InChIKey of 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is SVONUQCVJFBNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-12(9-18-19(10)2)8-17-15-6-3-11-7-13(16)4-5-14(11)15/h4-5,7,9,15,17H,3,6,8,16H2,1-2H3.
What are the key properties of 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 106038711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).