N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C20H22N8O — CID 78880361

IUPACN-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC(C)c2ccc(-n3cncn3)cc2)[nH]n1
InChIInChI=1S/C20H22N8O/c1-12(15-5-7-16(8-6-15)28-11-21-10-22-28)23-20(29)18-9-17(24-25-18)19-13(2)26-27(4)14(19)3/h5-12H,1-4H3,(H,23,29)(H,24,25)
InChIKeyDBJAPPYULCWHKO-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.50
Rot. Bonds5

About N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78880361) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78880361
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC(C)c2ccc(-n3cncn3)cc2)[nH]n1
InChIInChI=1S/C20H22N8O/c1-12(15-5-7-16(8-6-15)28-11-21-10-22-28)23-20(29)18-9-17(24-25-18)19-13(2)26-27(4)14(19)3/h5-12H,1-4H3,(H,23,29)(H,24,25)
InChIKeyDBJAPPYULCWHKO-UHFFFAOYSA-N
XLogP2.50
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-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

4-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 51218022
N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880599
2-methyl-1,3-dioxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isoindole-5-carboxamide
CID 39964916
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
N-(3-amino-2-methylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119998304
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 99794445
2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 94344688
4-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-2-carboxamide
CID 95784465
2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31438784
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78880361) is N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC(C)c2ccc(-n3cncn3)cc2)[nH]n1.
What is the InChIKey of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is DBJAPPYULCWHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-12(15-5-7-16(8-6-15)28-11-21-10-22-28)23-20(29)18-9-17(24-25-18)19-13(2)26-27(4)14(19)3/h5-12H,1-4H3,(H,23,29)(H,24,25).
What are the key properties of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78880361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).