N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide

C18H20FN5O — CID 71922084

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2cn[nH]c2-c2ccccc2F)c1C
InChIInChI=1S/C18H20FN5O/c1-4-24-12(3)14(11(2)23-24)9-20-18(25)15-10-21-22-17(15)13-7-5-6-8-16(13)19/h5-8,10H,4,9H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyRMKBYXMROJPPFP-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.98
Rot. Bonds5

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 71922084) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID71922084
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2cn[nH]c2-c2ccccc2F)c1C
InChIInChI=1S/C18H20FN5O/c1-4-24-12(3)14(11(2)23-24)9-20-18(25)15-10-21-22-17(15)13-7-5-6-8-16(13)19/h5-8,10H,4,9H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyRMKBYXMROJPPFP-UHFFFAOYSA-N
XLogP2.98
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 71998677
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CID 119432488
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide
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CID 35524422
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N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide
CID 167745276
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
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5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 119060130
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
CID 25453907
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-fluoro-N-methylbenzamide
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5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 71922084) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide is CCn1nc(C)c(CNC(=O)c2cn[nH]c2-c2ccccc2F)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is RMKBYXMROJPPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-4-24-12(3)14(11(2)23-24)9-20-18(25)15-10-21-22-17(15)13-7-5-6-8-16(13)19/h5-8,10H,4,9H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71922084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).