N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide

C21H23FN6O2 — CID 175655803

IUPACN-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
SMILESCc1[nH]ncc1C(=O)N1CCC(CC(=O)Nc2cc(-c3ccccc3F)[nH]n2)CC1
InChIInChI=1S/C21H23FN6O2/c1-13-16(12-23-25-13)21(30)28-8-6-14(7-9-28)10-20(29)24-19-11-18(26-27-19)15-4-2-3-5-17(15)22/h2-5,11-12,14H,6-10H2,1H3,(H,23,25)(H2,24,26,27,29)
InChIKeyODZKPAGYMQJBFI-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.13
Rot. Bonds5

About N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide

N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide (PubChem CID 175655803) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
PubChem CID175655803
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC NameN-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
SMILESCc1[nH]ncc1C(=O)N1CCC(CC(=O)Nc2cc(-c3ccccc3F)[nH]n2)CC1
InChIInChI=1S/C21H23FN6O2/c1-13-16(12-23-25-13)21(30)28-8-6-14(7-9-28)10-20(29)24-19-11-18(26-27-19)15-4-2-3-5-17(15)22/h2-5,11-12,14H,6-10H2,1H3,(H,23,25)(H2,24,26,27,29)
InChIKeyODZKPAGYMQJBFI-UHFFFAOYSA-N
XLogP3.13
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide 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

[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562475
(4-aminopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375415
(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
CID 86808741
N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 112687931
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491506
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 124606178
[3-ethyl-4-(methylamino)piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114506404
1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110252786
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918216
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
N-cyclopropyl-5-(2-fluorophenyl)-1H-pyrazol-3-amine
CID 63049345
(5-methyl-1H-pyrazol-4-yl)-[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110261377

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide (CID 175655803) is N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide is Cc1[nH]ncc1C(=O)N1CCC(CC(=O)Nc2cc(-c3ccccc3F)[nH]n2)CC1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is ODZKPAGYMQJBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-13-16(12-23-25-13)21(30)28-8-6-14(7-9-28)10-20(29)24-19-11-18(26-27-19)15-4-2-3-5-17(15)22/h2-5,11-12,14H,6-10H2,1H3,(H,23,25)(H2,24,26,27,29).
What are the key properties of N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide?
N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175655803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).