1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide

C24H28FN5O2 — CID 46456579

IUPAC1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1
InChIInChI=1S/C24H28FN5O2/c1-15(2)22-21(14-27-30(22)20-11-7-18(25)8-12-20)23(31)26-13-17-5-9-19(10-6-17)29-24(32)28-16(3)4/h5-12,14-16H,13H2,1-4H3,(H,26,31)(H2,28,29,32)
InChIKeySRMXKBXRIIZBAD-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.59
Rot. Bonds7

About 1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 46456579) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID46456579
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1
InChIInChI=1S/C24H28FN5O2/c1-15(2)22-21(14-27-30(22)20-11-7-18(25)8-12-20)23(31)26-13-17-5-9-19(10-6-17)29-24(32)28-16(3)4/h5-12,14-16H,13H2,1-4H3,(H,26,31)(H2,28,29,32)
InChIKeySRMXKBXRIIZBAD-UHFFFAOYSA-N
XLogP4.59
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55595553
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CID 31882537
5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 46456405
N-(3-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119998270
N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31855056
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55797748
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 46578034
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55607922
1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 31900966
1-(4-fluorophenyl)-5-propan-2-yl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrazole-4-carboxamide
CID 55953273
1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 86986258
1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide (CID 46456579) is 1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide is CC(C)NC(=O)Nc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is SRMXKBXRIIZBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-15(2)22-21(14-27-30(22)20-11-7-18(25)8-12-20)23(31)26-13-17-5-9-19(10-6-17)29-24(32)28-16(3)4/h5-12,14-16H,13H2,1-4H3,(H,26,31)(H2,28,29,32).
What are the key properties of 1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46456579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).