N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C23H28N6O — CID 42216536

IUPACN-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(-n2cccn2)c(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c1
InChIInChI=1S/C23H28N6O/c1-17-3-6-21(28-12-2-10-24-28)19(15-17)16-27-13-8-20(9-14-27)29-22(7-11-25-29)26-23(30)18-4-5-18/h2-3,6-7,10-12,15,18,20H,4-5,8-9,13-14,16H2,1H3,(H,26,30)
InChIKeyGUUPULYDLWKNCI-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.56
Rot. Bonds6

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

N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 42216536) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID42216536
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(-n2cccn2)c(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c1
InChIInChI=1S/C23H28N6O/c1-17-3-6-21(28-12-2-10-24-28)19(15-17)16-27-13-8-20(9-14-27)29-22(7-11-25-29)26-23(30)18-4-5-18/h2-3,6-7,10-12,15,18,20H,4-5,8-9,13-14,16H2,1H3,(H,26,30)
InChIKeyGUUPULYDLWKNCI-UHFFFAOYSA-N
XLogP3.56
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.56
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-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 42216536) is N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is Cc1ccc(-n2cccn2)c(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c1.
What is the InChIKey of N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is GUUPULYDLWKNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-3-6-21(28-12-2-10-24-28)19(15-17)16-27-13-8-20(9-14-27)29-22(7-11-25-29)26-23(30)18-4-5-18/h2-3,6-7,10-12,15,18,20H,4-5,8-9,13-14,16H2,1H3,(H,26,30).
What are the key properties of N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.56, 6 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-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42216536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).