N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

C23H26N6O3 — CID 25492362

IUPACN-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCc1cnc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1
InChIInChI=1S/C23H26N6O3/c1-17-15-25-20(16-24-17)23(31)28-12-8-18(9-13-28)29-21(7-11-26-29)27-22(30)10-14-32-19-5-3-2-4-6-19/h2-7,11,15-16,18H,8-10,12-14H2,1H3,(H,27,30)
InChIKeyHARODFDVCWRNNM-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.87
Rot. Bonds7

About N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 25492362) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID25492362
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC NameN-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCc1cnc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1
InChIInChI=1S/C23H26N6O3/c1-17-15-25-20(16-24-17)23(31)28-12-8-18(9-13-28)29-21(7-11-26-29)27-22(30)10-14-32-19-5-3-2-4-6-19/h2-7,11,15-16,18H,8-10,12-14H2,1H3,(H,27,30)
InChIKeyHARODFDVCWRNNM-UHFFFAOYSA-N
XLogP2.87
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 56756448
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
CID 24817380
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24791036
N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24790063
N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 42592754
4-phenyl-N-[2-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42514153
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 26328283
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24791135
3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42404341
N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72862145
N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022496

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 25492362) is N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is Cc1cnc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1.
What is the InChIKey of N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is HARODFDVCWRNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-17-15-25-20(16-24-17)23(31)28-12-8-18(9-13-28)29-21(7-11-26-29)27-22(30)10-14-32-19-5-3-2-4-6-19/h2-7,11,15-16,18H,8-10,12-14H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 434.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 25492362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).