4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide

C18H23F2N5O — CID 136515931

IUPAC4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide
SMILESCc1cc(CC(C)NC(=O)N2CCN(c3cc(F)ccc3F)CC2)n[nH]1
InChIInChI=1S/C18H23F2N5O/c1-12(9-15-10-13(2)22-23-15)21-18(26)25-7-5-24(6-8-25)17-11-14(19)3-4-16(17)20/h3-4,10-12H,5-9H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyWAGOJVQWEBSUFI-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.46
Rot. Bonds4

About 4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide

4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide (PubChem CID 136515931) has the molecular formula C18H23F2N5O and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide
PubChem CID136515931
Molecular FormulaC18H23F2N5O
Molecular Weight363.41 g/mol
Exact Mass363.19
IUPAC Name4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide
SMILESCc1cc(CC(C)NC(=O)N2CCN(c3cc(F)ccc3F)CC2)n[nH]1
InChIInChI=1S/C18H23F2N5O/c1-12(9-15-10-13(2)22-23-15)21-18(26)25-7-5-24(6-8-25)17-11-14(19)3-4-16(17)20/h3-4,10-12H,5-9H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyWAGOJVQWEBSUFI-UHFFFAOYSA-N
XLogP2.46
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
CID 72922137
1-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide
CID 122556295
1-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-piperidin-1-ylpiperidine-1,4-dicarboxamide
CID 125435284
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 154906225
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide
CID 126427446
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119887891
1-(2-cyano-4-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99715677
1-(2-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide
CID 50980084
1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide
CID 95143367
3-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120504016
N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide (CID 136515931) is 4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide is Cc1cc(CC(C)NC(=O)N2CCN(c3cc(F)ccc3F)CC2)n[nH]1.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is WAGOJVQWEBSUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O/c1-12(9-15-10-13(2)22-23-15)21-18(26)25-7-5-24(6-8-25)17-11-14(19)3-4-16(17)20/h3-4,10-12H,5-9H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of 4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide?
4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 136515931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).