N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C15H19N3 — CID 43644936

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1n[nH]c(C)c1CNC1CCc2ccccc21
InChIInChI=1S/C15H19N3/c1-10-14(11(2)18-17-10)9-16-15-8-7-12-5-3-4-6-13(12)15/h3-6,15-16H,7-9H2,1-2H3,(H,17,18)
InChIKeyUXSWZSTZSFVFOK-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.80
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43644936) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43644936
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1n[nH]c(C)c1CNC1CCc2ccccc21
InChIInChI=1S/C15H19N3/c1-10-14(11(2)18-17-10)9-16-15-8-7-12-5-3-4-6-13(12)15/h3-6,15-16H,7-9H2,1-2H3,(H,17,18)
InChIKeyUXSWZSTZSFVFOK-UHFFFAOYSA-N
XLogP2.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43740247
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103780736
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181872
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 94822388
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107911419
3,5-ditert-butyl-2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenol
CID 11725523
N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181892
N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 65477774
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43612746
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 71916244
N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43420289

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 43644936) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1n[nH]c(C)c1CNC1CCc2ccccc21.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UXSWZSTZSFVFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-14(11(2)18-17-10)9-16-15-8-7-12-5-3-4-6-13(12)15/h3-6,15-16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43644936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).