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

C19H19N3 — CID 43824580

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESc1ccc(-n2cc(CNc3ccc4c(c3)CCC4)cn2)cc1
InChIInChI=1S/C19H19N3/c1-2-7-19(8-3-1)22-14-15(13-21-22)12-20-18-10-9-16-5-4-6-17(16)11-18/h1-3,7-11,13-14,20H,4-6,12H2
InChIKeyHUMCOCVJWHWRDU-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.97
Rot. Bonds4

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

N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 43824580) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID43824580
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESc1ccc(-n2cc(CNc3ccc4c(c3)CCC4)cn2)cc1
InChIInChI=1S/C19H19N3/c1-2-7-19(8-3-1)22-14-15(13-21-22)12-20-18-10-9-16-5-4-6-17(16)11-18/h1-3,7-11,13-14,20H,4-6,12H2
InChIKeyHUMCOCVJWHWRDU-UHFFFAOYSA-N
XLogP3.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 107619206
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112808146
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103746202
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46639050
[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 62523609
4-chloro-2-iodo-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 107631770
2-(2-fluorophenyl)-N-[2-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 42118526
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 43823571

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 43824580) is N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine is c1ccc(-n2cc(CNc3ccc4c(c3)CCC4)cn2)cc1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is HUMCOCVJWHWRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-2-7-19(8-3-1)22-14-15(13-21-22)12-20-18-10-9-16-5-4-6-17(16)11-18/h1-3,7-11,13-14,20H,4-6,12H2.
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 289.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 43824580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).