(4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone

C14H16N4O — CID 65359057

IUPAC(4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCCn1ncc(N)c1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C14H16N4O/c1-2-18-13(12(15)7-16-18)14(19)17-8-10-5-3-4-6-11(10)9-17/h3-7H,2,8-9,15H2,1H3
InChIKeyVGTHBKJAZKFCMD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.64
Rot. Bonds2

About (4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone

(4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 65359057) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID65359057
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCCn1ncc(N)c1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C14H16N4O/c1-2-18-13(12(15)7-16-18)14(19)17-8-10-5-3-4-6-11(10)9-17/h3-7H,2,8-9,15H2,1H3
InChIKeyVGTHBKJAZKFCMD-UHFFFAOYSA-N
XLogP1.64
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 920251
N-(3,4-dimethylphenyl)-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1084302
N-(2,3-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1084338
N-(2,3-dihydro-1H-inden-5-yl)-1-ethylpyrazole-3-carboxamide
CID 4342282
N-(3,4-dimethylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 747514
N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 747520
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]indoline
CID 725789
1-[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]indoline
CID 1225706
4-chloro-1-methyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 3421069
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide
CID 24791863
1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 747864

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 65359057) is (4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone is CCn1ncc(N)c1C(=O)N1Cc2ccccc2C1.
What is the InChIKey of (4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is VGTHBKJAZKFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-18-13(12(15)7-16-18)14(19)17-8-10-5-3-4-6-11(10)9-17/h3-7H,2,8-9,15H2,1H3.
What are the key properties of (4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 65359057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).