3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

C24H26N4O2 — CID 134325410

IUPAC3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC3CCCC3)c2)c1
InChIInChI=1S/C24H26N4O2/c1-16-6-7-17(24(29)27-19-8-9-19)10-23(16)18-12-26-28(15-18)20-11-22(14-25-13-20)30-21-4-2-3-5-21/h6-7,10-15,19,21H,2-5,8-9H2,1H3,(H,27,29)
InChIKeyNHWNOIGHONAYMD-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.46
Rot. Bonds6

About 3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 134325410) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID134325410
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC3CCCC3)c2)c1
InChIInChI=1S/C24H26N4O2/c1-16-6-7-17(24(29)27-19-8-9-19)10-23(16)18-12-26-28(15-18)20-11-22(14-25-13-20)30-21-4-2-3-5-21/h6-7,10-15,19,21H,2-5,8-9H2,1H3,(H,27,29)
InChIKeyNHWNOIGHONAYMD-UHFFFAOYSA-N
XLogP4.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 134325410) is 3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC3CCCC3)c2)c1.
What is the InChIKey of 3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is NHWNOIGHONAYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-6-7-17(24(29)27-19-8-9-19)10-23(16)18-12-26-28(15-18)20-11-22(14-25-13-20)30-21-4-2-3-5-21/h6-7,10-15,19,21H,2-5,8-9H2,1H3,(H,27,29).
What are the key properties of 3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 402.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-cyclopentyloxy-3-pyridinyl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 134325410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).