3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide

C24H30N6O2 — CID 42404341

IUPAC3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C)n1cc(C(=O)N2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1
InChIInChI=1S/C24H30N6O2/c1-18(2)29-17-20(16-26-29)24(32)28-14-11-21(12-15-28)30-22(10-13-25-30)27-23(31)9-8-19-6-4-3-5-7-19/h3-7,10,13,16-18,21H,8-9,11-12,14-15H2,1-2H3,(H,27,31)
InChIKeyCSUDYYOGJKGZDY-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.71
Rot. Bonds7

About 3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide

3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 42404341) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID42404341
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C)n1cc(C(=O)N2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1
InChIInChI=1S/C24H30N6O2/c1-18(2)29-17-20(16-26-29)24(32)28-14-11-21(12-15-28)30-22(10-13-25-30)27-23(31)9-8-19-6-4-3-5-7-19/h3-7,10,13,16-18,21H,8-9,11-12,14-15H2,1-2H3,(H,27,31)
InChIKeyCSUDYYOGJKGZDY-UHFFFAOYSA-N
XLogP3.71
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-N-[2-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42514153
N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 25448307
N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24791135
N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 95207571
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 26328283
N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 42287752
N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 24819374
N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 56748004
N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 131905156
3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42155853
4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 26326222
4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 45216230

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide (CID 42404341) is 3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide is CC(C)n1cc(C(=O)N2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1.
What is the InChIKey of 3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is CSUDYYOGJKGZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-18(2)29-17-20(16-26-29)24(32)28-14-11-21(12-15-28)30-22(10-13-25-30)27-23(31)9-8-19-6-4-3-5-7-19/h3-7,10,13,16-18,21H,8-9,11-12,14-15H2,1-2H3,(H,27,31).
What are the key properties of 3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 434.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 42404341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).