N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C19H21N5O — CID 51493820

IUPACN-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2cnn(C)c2)n[nH]1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H21N5O/c1-12(14-7-6-13-4-3-5-15(13)8-14)21-19(25)18-9-17(22-23-18)16-10-20-24(2)11-16/h6-12H,3-5H2,1-2H3,(H,21,25)(H,22,23)/t12-/m1/s1
InChIKeyLIHNYJBMWTUFST-GFCCVEGCSA-N
MW335.41 g/mol
LogP2.79
Rot. Bonds4

About N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 51493820) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID51493820
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2cnn(C)c2)n[nH]1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H21N5O/c1-12(14-7-6-13-4-3-5-15(13)8-14)21-19(25)18-9-17(22-23-18)16-10-20-24(2)11-16/h6-12H,3-5H2,1-2H3,(H,21,25)(H,22,23)/t12-/m1/s1
InChIKeyLIHNYJBMWTUFST-GFCCVEGCSA-N
XLogP2.79
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 155946145
methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate
CID 86207960
5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide
CID 124620606
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 31442892
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 25371184
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 94487783
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 133185989
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclopropanecarboxamide
CID 94487664
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 51497926

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 51493820) is N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is C[C@@H](NC(=O)c1cc(-c2cnn(C)c2)n[nH]1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is LIHNYJBMWTUFST-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12(14-7-6-13-4-3-5-15(13)8-14)21-19(25)18-9-17(22-23-18)16-10-20-24(2)11-16/h6-12H,3-5H2,1-2H3,(H,21,25)(H,22,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51493820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).