N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C23H30N6O — CID 24791804

IUPACN-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCCCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C23H30N6O/c1-3-13-28-17-20(18(2)26-28)16-27-14-10-21(11-15-27)29-22(9-12-24-29)25-23(30)19-7-5-4-6-8-19/h4-9,12,17,21H,3,10-11,13-16H2,1-2H3,(H,25,30)
InChIKeyMSNXWHLYGVHSMH-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.89
Rot. Bonds7

About N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24791804) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24791804
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCCCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C23H30N6O/c1-3-13-28-17-20(18(2)26-28)16-27-14-10-21(11-15-27)29-22(9-12-24-29)25-23(30)19-7-5-4-6-8-19/h4-9,12,17,21H,3,10-11,13-16H2,1-2H3,(H,25,30)
InChIKeyMSNXWHLYGVHSMH-UHFFFAOYSA-N
XLogP3.89
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide 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-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24791804) is N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is CCCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)c(C)n1.
What is the InChIKey of N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is MSNXWHLYGVHSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-3-13-28-17-20(18(2)26-28)16-27-14-10-21(11-15-27)29-22(9-12-24-29)25-23(30)19-7-5-4-6-8-19/h4-9,12,17,21H,3,10-11,13-16H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24791804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).