N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C22H28N6O — CID 24790657

IUPACN-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCn1cc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1
InChIInChI=1S/C22H28N6O/c1-26-16-19(15-24-26)17-27-13-10-20(11-14-27)28-21(9-12-23-28)25-22(29)8-7-18-5-3-2-4-6-18/h2-6,9,12,15-16,20H,7-8,10-11,13-14,17H2,1H3,(H,25,29)
InChIKeyIUWVGHSIRXUIBE-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.03
Rot. Bonds7

About N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24790657) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24790657
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCn1cc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1
InChIInChI=1S/C22H28N6O/c1-26-16-19(15-24-26)17-27-13-10-20(11-14-27)28-21(9-12-23-28)25-22(29)8-7-18-5-3-2-4-6-18/h2-6,9,12,15-16,20H,7-8,10-11,13-14,17H2,1H3,(H,25,29)
InChIKeyIUWVGHSIRXUIBE-UHFFFAOYSA-N
XLogP3.03
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24790657) is N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is Cn1cc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1.
What is the InChIKey of N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is IUWVGHSIRXUIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-26-16-19(15-24-26)17-27-13-10-20(11-14-27)28-21(9-12-23-28)25-22(29)8-7-18-5-3-2-4-6-18/h2-6,9,12,15-16,20H,7-8,10-11,13-14,17H2,1H3,(H,25,29).
What are the key properties of N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 392.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24790657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).