N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide

C20H24N6O2 — CID 30898341

IUPACN-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide
SMILESCOc1ncccc1-c1cnn(CC(=O)Nc2cc(C)nn2C2CCCC2)c1
InChIInChI=1S/C20H24N6O2/c1-14-10-18(26(24-14)16-6-3-4-7-16)23-19(27)13-25-12-15(11-22-25)17-8-5-9-21-20(17)28-2/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,23,27)
InChIKeyBXTZBNGEMNCIDL-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.21
Rot. Bonds6

About N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide

N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide (PubChem CID 30898341) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide
PubChem CID30898341
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide
SMILESCOc1ncccc1-c1cnn(CC(=O)Nc2cc(C)nn2C2CCCC2)c1
InChIInChI=1S/C20H24N6O2/c1-14-10-18(26(24-14)16-6-3-4-7-16)23-19(27)13-25-12-15(11-22-25)17-8-5-9-21-20(17)28-2/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,23,27)
InChIKeyBXTZBNGEMNCIDL-UHFFFAOYSA-N
XLogP3.21
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide (CID 30898341) is N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide is COc1ncccc1-c1cnn(CC(=O)Nc2cc(C)nn2C2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide?
The InChIKey is BXTZBNGEMNCIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-10-18(26(24-14)16-6-3-4-7-16)23-19(27)13-25-12-15(11-22-25)17-8-5-9-21-20(17)28-2/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,23,27).
What are the key properties of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide?
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-[4-(2-methoxy-3-pyridinyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 30898341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).