N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C20H26N4O3 — CID 24818905

IUPACN-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1O
InChIInChI=1S/C20H26N4O3/c1-27-18-5-2-14(12-17(18)25)13-23-10-7-16(8-11-23)24-19(6-9-21-24)22-20(26)15-3-4-15/h2,5-6,9,12,15-16,25H,3-4,7-8,10-11,13H2,1H3,(H,22,26)
InChIKeyQHZZEZXKKBBPNI-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.78
Rot. Bonds6

About N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24818905) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24818905
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1O
InChIInChI=1S/C20H26N4O3/c1-27-18-5-2-14(12-17(18)25)13-23-10-7-16(8-11-23)24-19(6-9-21-24)22-20(26)15-3-4-15/h2,5-6,9,12,15-16,25H,3-4,7-8,10-11,13H2,1H3,(H,22,26)
InChIKeyQHZZEZXKKBBPNI-UHFFFAOYSA-N
XLogP2.78
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24818905) is N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is COc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1O.
What is the InChIKey of N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is QHZZEZXKKBBPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-27-18-5-2-14(12-17(18)25)13-23-10-7-16(8-11-23)24-19(6-9-21-24)22-20(26)15-3-4-15/h2,5-6,9,12,15-16,25H,3-4,7-8,10-11,13H2,1H3,(H,22,26).
What are the key properties of N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24818905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).