N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide

C23H23F3N8O2 — CID 58486576

IUPACN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H]1CN(Cc2cn[nH]c2C(=O)Nc2cc(-c3ccco3)[nH]n2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H23F3N8O2/c1-14-12-33(6-7-34(14)20-5-4-16(11-27-20)23(24,25)26)13-15-10-28-32-21(15)22(35)29-19-9-17(30-31-19)18-3-2-8-36-18/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,28,32)(H2,29,30,31,35)/t14-/m1/s1
InChIKeySWLJZCQKYXTNFY-CQSZACIVSA-N
MW500.49 g/mol
LogP3.77
Rot. Bonds6

About N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide

N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 58486576) has the molecular formula C23H23F3N8O2 and a molecular weight of 500.49 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID58486576
Molecular FormulaC23H23F3N8O2
Molecular Weight500.49 g/mol
Exact Mass500.19
IUPAC NameN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H]1CN(Cc2cn[nH]c2C(=O)Nc2cc(-c3ccco3)[nH]n2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H23F3N8O2/c1-14-12-33(6-7-34(14)20-5-4-16(11-27-20)23(24,25)26)13-15-10-28-32-21(15)22(35)29-19-9-17(30-31-19)18-3-2-8-36-18/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,28,32)(H2,29,30,31,35)/t14-/m1/s1
InChIKeySWLJZCQKYXTNFY-CQSZACIVSA-N
XLogP3.77
TPSA118.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide (CID 58486576) is N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide is C[C@@H]1CN(Cc2cn[nH]c2C(=O)Nc2cc(-c3ccco3)[nH]n2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is SWLJZCQKYXTNFY-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23F3N8O2/c1-14-12-33(6-7-34(14)20-5-4-16(11-27-20)23(24,25)26)13-15-10-28-32-21(15)22(35)29-19-9-17(30-31-19)18-3-2-8-36-18/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,28,32)(H2,29,30,31,35)/t14-/m1/s1.
What are the key properties of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 500.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58486576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).