N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide

C18H21BrF2N4O2 — CID 118694728

IUPACN-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc3c(c2)CC[C@H](N)C3)c(Br)c1OCC(F)F
InChIInChI=1S/C18H21BrF2N4O2/c1-2-25-18(27-9-14(20)21)15(19)16(24-25)17(26)23-13-6-4-10-7-12(22)5-3-11(10)8-13/h4,6,8,12,14H,2-3,5,7,9,22H2,1H3,(H,23,26)/t12-/m0/s1
InChIKeyIGDCSHQTDPJRSJ-LBPRGKRZSA-N
MW443.29 g/mol
LogP3.38
Rot. Bonds6

About N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide

N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide (PubChem CID 118694728) has the molecular formula C18H21BrF2N4O2 and a molecular weight of 443.29 g/mol. Its IUPAC name is N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide
PubChem CID118694728
Molecular FormulaC18H21BrF2N4O2
Molecular Weight443.29 g/mol
Exact Mass442.08
IUPAC NameN-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc3c(c2)CC[C@H](N)C3)c(Br)c1OCC(F)F
InChIInChI=1S/C18H21BrF2N4O2/c1-2-25-18(27-9-14(20)21)15(19)16(24-25)17(26)23-13-6-4-10-7-12(22)5-3-11(10)8-13/h4,6,8,12,14H,2-3,5,7,9,22H2,1H3,(H,23,26)/t12-/m0/s1
InChIKeyIGDCSHQTDPJRSJ-LBPRGKRZSA-N
XLogP3.38
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-(4-bromophenyl)-3-[3-(dimethylamino)propoxy]pyrazole-5-carboxamide
CID 9981513
US9957261, Example 92
CID 118694760
US9926282, Example 403
CID 123298071
1-benzyl-N-(3,5-difluorophenyl)-3-[3-(dimethylamino)propoxy]pyrazole-5-carboxamide
CID 44267778
N-[3-(Trifluoromethyl)-5-fluorophenyl]-1-benzyl-3-[3-(dimethylamino)propoxy]-1H-pyrazole-5-carboxamide
CID 44267836
1-benzyl-3-[3-(dimethylamino)propoxy]-N-(3-fluorophenyl)pyrazole-5-carboxamide
CID 44267842
1-benzyl-3-[3-(dimethylamino)propoxy]-N-(2-fluorophenyl)pyrazole-5-carboxamide
CID 44267847
N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 128591113
N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide
CID 118694729
N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide
CID 118694762
N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide
CID 137354089
4-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 75538002

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide (CID 118694728) is N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide is CCn1nc(C(=O)Nc2ccc3c(c2)CC[C@H](N)C3)c(Br)c1OCC(F)F.
What is the InChIKey of N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide?
The InChIKey is IGDCSHQTDPJRSJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21BrF2N4O2/c1-2-25-18(27-9-14(20)21)15(19)16(24-25)17(26)23-13-6-4-10-7-12(22)5-3-11(10)8-13/h4,6,8,12,14H,2-3,5,7,9,22H2,1H3,(H,23,26)/t12-/m0/s1.
What are the key properties of N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide?
N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide has a molecular weight of 443.29 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 118694728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).