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

C25H34N6O — CID 24790106

IUPACN-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCCCn1ncc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)c1C
InChIInChI=1S/C25H34N6O/c1-3-15-30-20(2)22(18-27-30)19-29-16-12-23(13-17-29)31-24(11-14-26-31)28-25(32)10-9-21-7-5-4-6-8-21/h4-8,11,14,18,23H,3,9-10,12-13,15-17,19H2,1-2H3,(H,28,32)
InChIKeyDREDZETVZGEPLX-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.21
Rot. Bonds9

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

N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24790106) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24790106
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC NameN-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCCCn1ncc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)c1C
InChIInChI=1S/C25H34N6O/c1-3-15-30-20(2)22(18-27-30)19-29-16-12-23(13-17-29)31-24(11-14-26-31)28-25(32)10-9-21-7-5-4-6-8-21/h4-8,11,14,18,23H,3,9-10,12-13,15-17,19H2,1-2H3,(H,28,32)
InChIKeyDREDZETVZGEPLX-UHFFFAOYSA-N
XLogP4.21
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24790106) is N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is CCCn1ncc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)c1C.
What is the InChIKey of N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is DREDZETVZGEPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-3-15-30-20(2)22(18-27-30)19-29-16-12-23(13-17-29)31-24(11-14-26-31)28-25(32)10-9-21-7-5-4-6-8-21/h4-8,11,14,18,23H,3,9-10,12-13,15-17,19H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 434.59 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24790106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).