2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C23H29ClN6O — CID 24791989

IUPAC2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCCCn1ncc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c1C
InChIInChI=1S/C23H29ClN6O/c1-3-12-29-17(2)18(15-26-29)16-28-13-9-19(10-14-28)30-22(8-11-25-30)27-23(31)20-6-4-5-7-21(20)24/h4-8,11,15,19H,3,9-10,12-14,16H2,1-2H3,(H,27,31)
InChIKeyMDLNKBCAXUQUPV-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.54
Rot. Bonds7

About 2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24791989) has the molecular formula C23H29ClN6O and a molecular weight of 440.98 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24791989
Molecular FormulaC23H29ClN6O
Molecular Weight440.98 g/mol
Exact Mass440.21
IUPAC Name2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCCCn1ncc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c1C
InChIInChI=1S/C23H29ClN6O/c1-3-12-29-17(2)18(15-26-29)16-28-13-9-19(10-14-28)30-22(8-11-25-30)27-23(31)20-6-4-5-7-21(20)24/h4-8,11,15,19H,3,9-10,12-14,16H2,1-2H3,(H,27,31)
InChIKeyMDLNKBCAXUQUPV-UHFFFAOYSA-N
XLogP4.54
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24791989) is 2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is CCCn1ncc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c1C.
What is the InChIKey of 2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is MDLNKBCAXUQUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O/c1-3-12-29-17(2)18(15-26-29)16-28-13-9-19(10-14-28)30-22(8-11-25-30)27-23(31)20-6-4-5-7-21(20)24/h4-8,11,15,19H,3,9-10,12-14,16H2,1-2H3,(H,27,31).
What are the key properties of 2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 440.98 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24791989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).