N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide

C17H21N3O — CID 164632448

IUPACN-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c1C
InChIInChI=1S/C17H21N3O/c1-10-11(2)19-20-15(10)16(21)18-14-9-17(3,4)13-8-6-5-7-12(13)14/h5-8,14H,9H2,1-4H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyRCCHZRHCQNYFED-AWEZNQCLSA-N
MW283.38 g/mol
LogP3.18
Rot. Bonds2

About N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 164632448) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID164632448
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c1C
InChIInChI=1S/C17H21N3O/c1-10-11(2)19-20-15(10)16(21)18-14-9-17(3,4)13-8-6-5-7-12(13)14/h5-8,14H,9H2,1-4H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyRCCHZRHCQNYFED-AWEZNQCLSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 164632448) is N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c1C.
What is the InChIKey of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is RCCHZRHCQNYFED-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10-11(2)19-20-15(10)16(21)18-14-9-17(3,4)13-8-6-5-7-12(13)14/h5-8,14H,9H2,1-4H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164632448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).