N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide

C18H22FN5O3S — CID 53142771

IUPACN-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC2)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H22FN5O3S/c1-22-12-14(17(25)20-13-6-7-13)18(21-22)28(26,27)24-10-8-23(9-11-24)16-5-3-2-4-15(16)19/h2-5,12-13H,6-11H2,1H3,(H,20,25)
InChIKeyVRQIPFWFXVKJDV-UHFFFAOYSA-N
MW407.47 g/mol
LogP0.96
Rot. Bonds5

About N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide

N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide (PubChem CID 53142771) has the molecular formula C18H22FN5O3S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide
PubChem CID53142771
Molecular FormulaC18H22FN5O3S
Molecular Weight407.47 g/mol
Exact Mass407.14
IUPAC NameN-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC2)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H22FN5O3S/c1-22-12-14(17(25)20-13-6-7-13)18(21-22)28(26,27)24-10-8-23(9-11-24)16-5-3-2-4-15(16)19/h2-5,12-13H,6-11H2,1H3,(H,20,25)
InChIKeyVRQIPFWFXVKJDV-UHFFFAOYSA-N
XLogP0.96
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide (CID 53142771) is N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CC2)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide?
The InChIKey is VRQIPFWFXVKJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O3S/c1-22-12-14(17(25)20-13-6-7-13)18(21-22)28(26,27)24-10-8-23(9-11-24)16-5-3-2-4-15(16)19/h2-5,12-13H,6-11H2,1H3,(H,20,25).
What are the key properties of N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide?
N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 53142771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).